REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2fel_1_H DATA FIRST_RESID 2 DATA SEQUENCE SLSPFEHPFL SGLFGDSEII ELFSAKADID AMIRFETALA QAEAEASIFA DATA SEQUENCE DDEAEAIVSG LSEFAADMSA LRHGVAKDGV VVPELIRQMR AAVAGQAADK DATA SEQUENCE VHFGATSQDV IDTSLMLRLK MAAEIIATRL GHLIDTLGDL ASRDGHKPLT DATA SEQUENCE GYTRMQAAIG ITVADRAAGW IAPLERHLLR LETFAQNGFA LQFGGAAGTL DATA SEQUENCE EKLGDNAGAV RADLAKRLGL ADRPQWHNQR DGIAEFANLL SLVTGTLGKF DATA SEQUENCE GQDIALMAEI GSEIRLSGXX XXXXXXXXXN PVNAETLVTL ARFNAVQISA DATA SEQUENCE LHQSLVQEQE RSGAGWMLEW LTLPQMVTAT GTSLLVAERL AAQIDRLGA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.574 174.600 -0.043 0.000 1.055 2 S CA 0.000 58.111 58.200 -0.148 0.000 1.107 2 S CB 0.000 63.096 63.200 -0.173 0.000 0.593 3 L N 1.190 122.388 121.223 -0.042 0.000 2.056 3 L HA 0.134 4.474 4.340 -0.001 0.000 0.207 3 L C 1.573 178.395 176.870 -0.080 0.000 1.078 3 L CA 1.369 56.183 54.840 -0.043 0.000 0.749 3 L CB -0.444 41.597 42.059 -0.030 0.000 0.901 3 L HN 0.775 nan 8.230 nan 0.000 0.433 4 S N -0.792 114.858 115.700 -0.082 0.000 2.457 4 S HA 0.266 4.736 4.470 -0.001 0.000 0.289 4 S C -1.715 172.752 174.600 -0.221 0.000 1.163 4 S CA -1.598 56.491 58.200 -0.184 0.000 1.078 4 S CB 1.425 64.583 63.200 -0.069 0.000 0.987 4 S HN -0.141 nan 8.310 nan 0.000 0.482 5 P HA -0.062 nan 4.420 nan 0.000 0.221 5 P C 0.726 177.880 177.300 -0.244 0.000 1.145 5 P CA 1.215 64.024 63.100 -0.484 0.000 0.795 5 P CB -0.049 31.059 31.700 -0.987 0.000 0.775 6 F N -0.023 119.842 119.950 -0.141 0.000 2.202 6 F HA -0.140 4.387 4.527 -0.000 0.000 0.301 6 F C 1.929 177.746 175.800 0.028 0.000 1.082 6 F CA 1.031 59.028 58.000 -0.004 0.000 1.313 6 F CB -0.573 38.402 39.000 -0.042 0.000 1.024 6 F HN 0.022 nan 8.300 nan 0.000 0.495 7 E N -1.956 118.346 120.200 0.170 0.000 2.498 7 E HA -0.015 4.335 4.350 -0.001 0.000 0.203 7 E C 0.408 177.037 176.600 0.048 0.000 1.013 7 E CA -0.178 56.282 56.400 0.100 0.000 0.927 7 E CB 0.093 29.833 29.700 0.066 0.000 1.012 7 E HN 0.253 nan 8.360 nan 0.000 0.482 8 H N 1.721 120.748 119.070 -0.073 0.000 2.848 8 H HA 0.027 4.583 4.556 -0.001 0.000 0.341 8 H C -1.777 173.463 175.328 -0.146 0.000 1.060 8 H CA -1.479 54.468 56.048 -0.169 0.000 1.444 8 H CB 1.369 30.973 29.762 -0.262 0.000 1.446 8 H HN -0.137 nan 8.280 nan 0.000 0.583 9 P HA -0.172 nan 4.420 nan 0.000 0.217 9 P C 0.760 178.136 177.300 0.125 0.000 1.148 9 P CA 1.549 64.594 63.100 -0.091 0.000 0.828 9 P CB -0.031 31.557 31.700 -0.186 0.000 0.783 10 F N -3.557 116.586 119.950 0.323 0.000 2.637 10 F HA 0.301 4.827 4.527 -0.001 0.000 0.284 10 F C 1.628 177.526 175.800 0.164 0.000 1.105 10 F CA 0.069 58.196 58.000 0.211 0.000 1.356 10 F CB -1.319 37.767 39.000 0.144 0.000 1.096 10 F HN -0.320 nan 8.300 nan 0.000 0.616 11 L N 1.409 122.742 121.223 0.183 0.000 2.465 11 L HA -0.054 4.285 4.340 -0.001 0.000 0.224 11 L C 2.233 179.223 176.870 0.200 0.000 1.145 11 L CA 1.143 56.035 54.840 0.086 0.000 0.834 11 L CB -0.734 41.125 42.059 -0.335 0.000 0.944 11 L HN 0.434 nan 8.230 nan 0.000 0.451 12 S N -0.882 114.934 115.700 0.193 0.000 2.561 12 S HA -0.037 4.433 4.470 -0.001 0.000 0.225 12 S C 1.964 176.653 174.600 0.148 0.000 0.977 12 S CA 0.523 58.838 58.200 0.192 0.000 0.926 12 S CB -0.328 62.966 63.200 0.156 0.000 0.769 12 S HN 0.426 nan 8.310 nan 0.000 0.533 13 G N 1.385 110.269 108.800 0.140 0.000 2.448 13 G HA2 -0.022 3.937 3.960 -0.001 0.000 0.219 13 G HA3 -0.022 3.937 3.960 -0.001 0.000 0.219 13 G C 1.238 176.160 174.900 0.036 0.000 1.127 13 G CA 0.983 46.137 45.100 0.089 0.000 0.766 13 G HN 0.507 nan 8.290 nan 0.000 0.552 14 L N -1.966 119.269 121.223 0.020 0.000 2.349 14 L HA 0.524 4.864 4.340 -0.001 0.000 0.200 14 L C 1.660 178.414 176.870 -0.194 0.000 1.064 14 L CA 0.773 55.528 54.840 -0.142 0.000 0.821 14 L CB -0.080 41.822 42.059 -0.263 0.000 1.027 14 L HN 0.108 nan 8.230 nan 0.000 0.476 15 F N 0.428 120.404 119.950 0.043 0.000 2.693 15 F HA 0.396 4.922 4.527 -0.001 0.000 0.303 15 F C 1.387 177.315 175.800 0.214 0.000 1.097 15 F CA -0.047 58.020 58.000 0.111 0.000 1.330 15 F CB -0.184 38.803 39.000 -0.021 0.000 1.067 15 F HN 0.137 nan 8.300 nan 0.000 0.565 16 G N -0.058 108.894 108.800 0.252 0.000 2.444 16 G HA2 0.289 4.248 3.960 -0.001 0.000 0.268 16 G HA3 0.289 4.248 3.960 -0.001 0.000 0.268 16 G C -1.100 173.880 174.900 0.132 0.000 1.203 16 G CA -0.055 45.165 45.100 0.200 0.000 0.835 16 G HN 0.069 nan 8.290 nan 0.000 0.543 17 D N 0.463 120.925 120.400 0.103 0.000 2.586 17 D HA 0.122 4.762 4.640 -0.001 0.000 0.254 17 D C 1.592 177.924 176.300 0.053 0.000 1.248 17 D CA -0.106 53.926 54.000 0.054 0.000 0.843 17 D CB 0.610 41.419 40.800 0.015 0.000 1.332 17 D HN 0.279 nan 8.370 nan 0.000 0.523 18 S N 1.559 117.290 115.700 0.052 0.000 2.370 18 S HA -0.237 4.233 4.470 -0.001 0.000 0.226 18 S C 1.687 176.310 174.600 0.039 0.000 1.033 18 S CA 1.280 59.508 58.200 0.047 0.000 1.011 18 S CB -0.136 63.087 63.200 0.037 0.000 0.852 18 S HN 0.533 nan 8.310 nan 0.000 0.457 19 E N 0.706 120.923 120.200 0.027 0.000 2.038 19 E HA -0.151 4.198 4.350 -0.001 0.000 0.195 19 E C 2.024 178.637 176.600 0.022 0.000 1.000 19 E CA 1.613 58.023 56.400 0.016 0.000 0.803 19 E CB -0.147 29.558 29.700 0.008 0.000 0.750 19 E HN 0.516 nan 8.360 nan 0.000 0.448 20 I N 0.964 121.561 120.570 0.044 0.000 2.233 20 I HA -0.223 3.947 4.170 -0.001 0.000 0.243 20 I C 2.495 178.712 176.117 0.167 0.000 1.093 20 I CA 1.010 62.361 61.300 0.086 0.000 1.380 20 I CB -0.734 37.324 38.000 0.097 0.000 1.067 20 I HN 0.273 nan 8.210 nan 0.000 0.413 21 I N 1.286 121.948 120.570 0.153 0.000 2.264 21 I HA -0.305 3.865 4.170 -0.001 0.000 0.248 21 I C 2.429 178.652 176.117 0.177 0.000 1.111 21 I CA 1.536 62.961 61.300 0.210 0.000 1.382 21 I CB -0.352 37.720 38.000 0.120 0.000 1.060 21 I HN 0.301 nan 8.210 nan 0.000 0.418 22 E N 1.084 121.330 120.200 0.077 0.000 2.265 22 E HA -0.206 4.143 4.350 -0.001 0.000 0.196 22 E C 1.811 178.391 176.600 -0.034 0.000 0.996 22 E CA 1.206 57.622 56.400 0.026 0.000 0.832 22 E CB -0.277 29.426 29.700 0.006 0.000 0.756 22 E HN 0.254 nan 8.360 nan 0.000 0.491 23 L N -0.246 120.911 121.223 -0.110 0.000 2.552 23 L HA 0.114 4.454 4.340 -0.001 0.000 0.227 23 L C 0.779 177.322 176.870 -0.545 0.000 1.146 23 L CA 1.053 55.695 54.840 -0.329 0.000 0.858 23 L CB -0.595 41.189 42.059 -0.459 0.000 0.969 23 L HN 0.211 nan 8.230 nan 0.000 0.451 24 F N -1.623 118.323 119.950 -0.007 0.000 2.653 24 F HA 0.212 4.739 4.527 -0.000 0.000 0.304 24 F C 1.491 177.279 175.800 -0.021 0.000 1.092 24 F CA -0.617 57.377 58.000 -0.011 0.000 1.279 24 F CB -0.399 38.602 39.000 0.002 0.000 1.044 24 F HN -0.070 nan 8.300 nan 0.000 0.564 25 S N 0.223 115.969 115.700 0.076 0.000 2.593 25 S HA 0.449 4.918 4.470 -0.001 0.000 0.269 25 S C 1.537 176.143 174.600 0.010 0.000 1.334 25 S CA -0.188 58.037 58.200 0.042 0.000 1.015 25 S CB 1.584 64.793 63.200 0.016 0.000 0.912 25 S HN 0.217 nan 8.310 nan 0.000 0.541 26 A N 1.822 124.642 122.820 0.000 0.000 1.940 26 A HA -0.143 4.176 4.320 -0.001 0.000 0.219 26 A C 2.151 179.721 177.584 -0.023 0.000 1.176 26 A CA 1.894 53.919 52.037 -0.020 0.000 0.631 26 A CB -0.891 18.095 19.000 -0.023 0.000 0.814 26 A HN 0.979 nan 8.150 nan 0.000 0.446 27 K N -0.329 120.059 120.400 -0.021 0.000 2.057 27 K HA -0.039 4.280 4.320 -0.001 0.000 0.206 27 K C 2.081 178.667 176.600 -0.023 0.000 1.050 27 K CA 1.280 57.554 56.287 -0.022 0.000 0.935 27 K CB -0.342 32.144 32.500 -0.023 0.000 0.715 27 K HN 0.336 nan 8.250 nan 0.000 0.439 28 A N 1.180 123.981 122.820 -0.032 0.000 1.930 28 A HA -0.177 4.143 4.320 -0.001 0.000 0.217 28 A C 1.888 179.443 177.584 -0.048 0.000 1.175 28 A CA 1.832 53.840 52.037 -0.048 0.000 0.627 28 A CB -0.705 18.247 19.000 -0.079 0.000 0.815 28 A HN 0.542 nan 8.150 nan 0.000 0.443 29 D N 0.383 120.755 120.400 -0.047 0.000 2.087 29 D HA -0.161 4.479 4.640 -0.001 0.000 0.192 29 D C 1.762 178.049 176.300 -0.021 0.000 0.993 29 D CA 1.682 55.656 54.000 -0.044 0.000 0.828 29 D CB -0.344 40.423 40.800 -0.055 0.000 0.968 29 D HN 0.445 nan 8.370 nan 0.000 0.448 30 I N 0.658 121.222 120.570 -0.011 0.000 2.151 30 I HA -0.291 3.879 4.170 -0.001 0.000 0.243 30 I C 1.988 178.132 176.117 0.045 0.000 1.080 30 I CA 1.473 62.785 61.300 0.020 0.000 1.339 30 I CB -0.334 37.678 38.000 0.020 0.000 1.039 30 I HN 0.022 nan 8.210 nan 0.000 0.409 31 D N 0.941 121.358 120.400 0.028 0.000 2.133 31 D HA -0.186 4.454 4.640 -0.001 0.000 0.195 31 D C 2.222 178.547 176.300 0.042 0.000 0.997 31 D CA 1.703 55.724 54.000 0.035 0.000 0.840 31 D CB -0.228 40.578 40.800 0.010 0.000 0.947 31 D HN 0.405 nan 8.370 nan 0.000 0.452 32 A N 0.237 123.073 122.820 0.026 0.000 1.929 32 A HA -0.097 4.223 4.320 -0.001 0.000 0.216 32 A C 2.234 179.869 177.584 0.085 0.000 1.176 32 A CA 1.007 53.068 52.037 0.040 0.000 0.628 32 A CB -0.408 18.598 19.000 0.009 0.000 0.816 32 A HN 0.147 nan 8.150 nan 0.000 0.444 33 M N -0.676 118.966 119.600 0.070 0.000 2.175 33 M HA -0.047 4.432 4.480 -0.001 0.000 0.264 33 M C 2.044 178.436 176.300 0.153 0.000 1.063 33 M CA 1.314 56.673 55.300 0.097 0.000 1.119 33 M CB -0.549 32.077 32.600 0.042 0.000 1.377 33 M HN 0.385 nan 8.290 nan 0.000 0.415 34 I N -0.305 120.337 120.570 0.121 0.000 2.226 34 I HA -0.301 3.869 4.170 -0.001 0.000 0.245 34 I C 2.671 178.850 176.117 0.104 0.000 1.100 34 I CA 1.276 62.645 61.300 0.115 0.000 1.374 34 I CB -0.529 37.549 38.000 0.130 0.000 1.057 34 I HN 0.290 nan 8.210 nan 0.000 0.413 35 R N 0.249 120.808 120.500 0.099 0.000 2.096 35 R HA -0.230 4.110 4.340 -0.001 0.000 0.240 35 R C 2.390 178.744 176.300 0.090 0.000 1.139 35 R CA 2.033 58.179 56.100 0.077 0.000 0.952 35 R CB -0.680 29.661 30.300 0.067 0.000 0.854 35 R HN 0.309 nan 8.270 nan 0.000 0.436 36 F N 2.314 122.269 119.950 0.009 0.000 2.069 36 F HA -0.210 4.317 4.527 -0.000 0.000 0.298 36 F C 2.249 178.047 175.800 -0.003 0.000 1.113 36 F CA 1.603 59.603 58.000 -0.001 0.000 1.214 36 F CB -0.044 38.971 39.000 0.025 0.000 0.978 36 F HN -0.075 nan 8.300 nan 0.000 0.474 37 E N -0.192 120.112 120.200 0.172 0.000 2.150 37 E HA -0.136 4.214 4.350 -0.001 0.000 0.193 37 E C 2.227 178.810 176.600 -0.030 0.000 0.985 37 E CA 1.614 58.061 56.400 0.078 0.000 0.814 37 E CB -0.673 29.125 29.700 0.164 0.000 0.752 37 E HN 0.449 nan 8.360 nan 0.000 0.466 38 T N 1.075 115.615 114.554 -0.023 0.000 2.770 38 T HA -0.037 4.313 4.350 -0.001 0.000 0.263 38 T C 1.989 176.649 174.700 -0.065 0.000 1.039 38 T CA 1.333 63.418 62.100 -0.026 0.000 1.142 38 T CB -0.136 68.729 68.868 -0.004 0.000 0.868 38 T HN 0.253 nan 8.240 nan 0.000 0.435 39 A N 1.334 124.083 122.820 -0.117 0.000 1.930 39 A HA 0.016 4.336 4.320 -0.001 0.000 0.217 39 A C 2.232 179.678 177.584 -0.231 0.000 1.175 39 A CA 1.167 53.110 52.037 -0.156 0.000 0.627 39 A CB -0.792 18.108 19.000 -0.166 0.000 0.815 39 A HN 0.404 nan 8.150 nan 0.000 0.443 40 L N -0.079 120.925 121.223 -0.365 0.000 2.042 40 L HA -0.108 4.231 4.340 -0.001 0.000 0.210 40 L C 2.637 179.439 176.870 -0.113 0.000 1.076 40 L CA 2.301 56.905 54.840 -0.394 0.000 0.749 40 L CB -0.794 40.925 42.059 -0.567 0.000 0.893 40 L HN 0.337 nan 8.230 nan 0.000 0.432 41 A N -1.031 121.792 122.820 0.004 0.000 1.883 41 A HA -0.279 4.041 4.320 -0.001 0.000 0.217 41 A C 2.197 179.844 177.584 0.106 0.000 1.186 41 A CA 2.012 54.169 52.037 0.200 0.000 0.624 41 A CB -0.641 18.451 19.000 0.152 0.000 0.822 41 A HN 0.682 nan 8.150 nan 0.000 0.444 42 Q N -0.802 118.998 119.800 0.001 0.000 2.119 42 Q HA 0.009 4.349 4.340 -0.001 0.000 0.201 42 Q C 2.369 178.314 176.000 -0.092 0.000 0.972 42 Q CA 1.205 56.986 55.803 -0.035 0.000 0.847 42 Q CB -0.344 28.371 28.738 -0.038 0.000 0.903 42 Q HN 0.681 nan 8.270 nan 0.000 0.433 43 A N 1.208 123.956 122.820 -0.119 0.000 1.930 43 A HA -0.199 4.120 4.320 -0.001 0.000 0.217 43 A C 1.768 179.257 177.584 -0.158 0.000 1.175 43 A CA 1.323 53.281 52.037 -0.133 0.000 0.627 43 A CB -0.244 18.659 19.000 -0.163 0.000 0.815 43 A HN 0.296 nan 8.150 nan 0.000 0.443 44 E N -0.338 119.738 120.200 -0.206 0.000 2.152 44 E HA 0.013 4.363 4.350 -0.001 0.000 0.192 44 E C 2.212 178.427 176.600 -0.641 0.000 0.983 44 E CA 0.700 56.885 56.400 -0.359 0.000 0.818 44 E CB -0.197 29.321 29.700 -0.303 0.000 0.758 44 E HN 0.609 nan 8.360 nan 0.000 0.467 45 A N 1.270 123.731 122.820 -0.599 0.000 1.929 45 A HA -0.195 4.125 4.320 -0.001 0.000 0.216 45 A C 2.043 179.490 177.584 -0.230 0.000 1.176 45 A CA 1.448 53.219 52.037 -0.443 0.000 0.628 45 A CB -0.243 18.660 19.000 -0.162 0.000 0.816 45 A HN 0.106 nan 8.150 nan 0.000 0.444 46 E N 0.506 120.604 120.200 -0.170 0.000 2.106 46 E HA 0.000 4.350 4.350 -0.001 0.000 0.192 46 E C 1.631 178.170 176.600 -0.101 0.000 0.984 46 E CA 1.300 57.635 56.400 -0.107 0.000 0.806 46 E CB -0.380 29.271 29.700 -0.083 0.000 0.750 46 E HN 0.446 nan 8.360 nan 0.000 0.458 47 A N -0.473 122.273 122.820 -0.124 0.000 2.259 47 A HA 0.194 4.513 4.320 -0.001 0.000 0.208 47 A C 0.858 178.381 177.584 -0.101 0.000 1.201 47 A CA 0.750 52.732 52.037 -0.092 0.000 0.824 47 A CB -0.376 18.580 19.000 -0.072 0.000 0.838 47 A HN 0.123 nan 8.150 nan 0.000 0.485 48 S N -1.431 114.188 115.700 -0.134 0.000 3.521 48 S HA -0.200 4.269 4.470 -0.001 0.000 0.328 48 S C 1.027 175.551 174.600 -0.127 0.000 1.165 48 S CA 0.927 59.057 58.200 -0.117 0.000 0.941 48 S CB -2.107 61.056 63.200 -0.061 0.000 0.951 48 S HN 0.668 nan 8.310 nan 0.000 0.539 49 I N -0.272 120.168 120.570 -0.216 0.000 2.163 49 I HA -0.060 4.110 4.170 -0.001 0.000 0.240 49 I C 1.162 177.206 176.117 -0.122 0.000 1.081 49 I CA 1.641 62.841 61.300 -0.167 0.000 1.353 49 I CB -0.099 37.801 38.000 -0.166 0.000 1.054 49 I HN 0.543 nan 8.210 nan 0.000 0.407 50 F N -0.597 119.320 119.950 -0.055 0.000 2.664 50 F HA 0.811 5.338 4.527 -0.001 0.000 0.329 50 F C 0.013 175.784 175.800 -0.048 0.000 1.090 50 F CA -1.663 56.291 58.000 -0.076 0.000 0.978 50 F CB 0.416 39.343 39.000 -0.122 0.000 1.378 50 F HN -0.250 nan 8.300 nan 0.000 0.495 51 A N 0.750 123.705 122.820 0.226 0.000 2.386 51 A HA 0.220 4.540 4.320 -0.001 0.000 0.248 51 A C 0.874 178.544 177.584 0.143 0.000 1.082 51 A CA -0.134 51.972 52.037 0.115 0.000 0.789 51 A CB -0.147 18.899 19.000 0.076 0.000 1.025 51 A HN 0.866 nan 8.150 nan 0.000 0.490 52 D N 0.646 121.082 120.400 0.061 0.000 2.149 52 D HA -0.190 4.449 4.640 -0.001 0.000 0.194 52 D C 1.447 177.787 176.300 0.068 0.000 1.001 52 D CA 2.017 56.048 54.000 0.051 0.000 0.849 52 D CB -0.093 40.717 40.800 0.018 0.000 0.939 52 D HN 0.784 nan 8.370 nan 0.000 0.449 53 D N 0.431 120.864 120.400 0.055 0.000 2.312 53 D HA -0.136 4.504 4.640 -0.001 0.000 0.211 53 D C 1.408 177.730 176.300 0.036 0.000 0.964 53 D CA 0.656 54.678 54.000 0.036 0.000 0.877 53 D CB -0.407 40.405 40.800 0.020 0.000 0.924 53 D HN 0.302 nan 8.370 nan 0.000 0.515 54 E N 0.417 120.657 120.200 0.067 0.000 2.158 54 E HA 0.022 4.372 4.350 -0.001 0.000 0.191 54 E C 2.111 178.726 176.600 0.025 0.000 0.982 54 E CA 0.837 57.241 56.400 0.007 0.000 0.823 54 E CB 0.012 29.682 29.700 -0.050 0.000 0.766 54 E HN 0.411 nan 8.360 nan 0.000 0.468 55 A N 1.518 124.439 122.820 0.169 0.000 1.968 55 A HA -0.178 4.142 4.320 -0.001 0.000 0.217 55 A C 2.047 179.667 177.584 0.061 0.000 1.169 55 A CA 1.406 53.538 52.037 0.159 0.000 0.638 55 A CB -0.227 18.894 19.000 0.202 0.000 0.812 55 A HN 0.095 nan 8.150 nan 0.000 0.446 56 E N 0.618 120.845 120.200 0.045 0.000 2.077 56 E HA -0.066 4.283 4.350 -0.001 0.000 0.193 56 E C 1.947 178.551 176.600 0.006 0.000 0.989 56 E CA 1.597 58.010 56.400 0.021 0.000 0.800 56 E CB -0.460 29.250 29.700 0.018 0.000 0.746 56 E HN 0.448 nan 8.360 nan 0.000 0.452 57 A N 0.326 123.143 122.820 -0.004 0.000 1.930 57 A HA -0.091 4.228 4.320 -0.001 0.000 0.217 57 A C 2.332 179.898 177.584 -0.030 0.000 1.175 57 A CA 1.339 53.364 52.037 -0.020 0.000 0.627 57 A CB -0.612 18.368 19.000 -0.034 0.000 0.815 57 A HN 0.355 nan 8.150 nan 0.000 0.443 58 I N -0.606 119.942 120.570 -0.037 0.000 2.252 58 I HA -0.197 3.973 4.170 -0.001 0.000 0.245 58 I C 2.319 178.418 176.117 -0.030 0.000 1.102 58 I CA 1.035 62.307 61.300 -0.047 0.000 1.385 58 I CB -0.228 37.742 38.000 -0.049 0.000 1.064 58 I HN 0.152 nan 8.210 nan 0.000 0.414 59 V N 0.287 120.196 119.914 -0.008 0.000 2.358 59 V HA -0.249 3.871 4.120 -0.001 0.000 0.246 59 V C 2.521 178.619 176.094 0.007 0.000 1.047 59 V CA 2.190 64.491 62.300 0.002 0.000 1.035 59 V CB -0.599 31.229 31.823 0.009 0.000 0.658 59 V HN 0.585 nan 8.190 nan 0.000 0.452 60 S N 0.408 116.111 115.700 0.004 0.000 2.522 60 S HA 0.024 4.494 4.470 -0.001 0.000 0.227 60 S C 1.900 176.506 174.600 0.011 0.000 0.986 60 S CA 1.050 59.255 58.200 0.009 0.000 0.929 60 S CB -0.041 63.163 63.200 0.007 0.000 0.769 60 S HN 0.535 nan 8.310 nan 0.000 0.529 61 G N 1.972 110.771 108.800 -0.001 0.000 2.394 61 G HA2 0.051 4.011 3.960 -0.001 0.000 0.214 61 G HA3 0.051 4.011 3.960 -0.001 0.000 0.214 61 G C 1.324 176.240 174.900 0.027 0.000 1.176 61 G CA 0.548 45.647 45.100 -0.001 0.000 0.786 61 G HN 0.525 nan 8.290 nan 0.000 0.533 62 L N 1.218 122.450 121.223 0.016 0.000 2.549 62 L HA 0.016 4.356 4.340 -0.001 0.000 0.229 62 L C 2.860 179.804 176.870 0.123 0.000 1.158 62 L CA 0.497 55.382 54.840 0.075 0.000 0.842 62 L CB -0.135 41.940 42.059 0.027 0.000 0.952 62 L HN 0.280 nan 8.230 nan 0.000 0.452 63 S N 0.096 115.842 115.700 0.076 0.000 2.423 63 S HA -0.103 4.367 4.470 -0.001 0.000 0.231 63 S C 1.322 175.963 174.600 0.069 0.000 1.014 63 S CA 0.961 59.198 58.200 0.062 0.000 0.965 63 S CB 0.020 63.242 63.200 0.038 0.000 0.785 63 S HN 0.461 nan 8.310 nan 0.000 0.495 64 E N 0.173 120.427 120.200 0.091 0.000 2.609 64 E HA 0.184 4.534 4.350 -0.001 0.000 0.208 64 E C -0.804 175.881 176.600 0.141 0.000 1.013 64 E CA -0.274 56.176 56.400 0.084 0.000 1.093 64 E CB -0.004 29.734 29.700 0.064 0.000 1.129 64 E HN 0.484 nan 8.360 nan 0.000 0.450 65 F N 1.804 121.752 119.950 -0.002 0.000 2.482 65 F HA 0.591 5.117 4.527 -0.001 0.000 0.331 65 F C -1.103 174.695 175.800 -0.003 0.000 1.115 65 F CA -0.986 57.012 58.000 -0.002 0.000 0.955 65 F CB 1.426 40.426 39.000 -0.000 0.000 1.136 65 F HN -0.053 nan 8.300 nan 0.000 0.452 66 A N 4.627 126.893 122.820 -0.922 0.000 2.408 66 A HA 0.794 5.114 4.320 -0.001 0.000 0.295 66 A C -1.087 175.863 177.584 -1.057 0.000 1.040 66 A CA -0.400 51.140 52.037 -0.828 0.000 0.707 66 A CB 0.755 19.540 19.000 -0.359 0.000 1.235 66 A HN 1.305 nan 8.150 nan 0.000 0.418 67 A N 1.609 123.910 122.820 -0.865 0.000 2.445 67 A HA 0.490 4.810 4.320 -0.001 0.000 0.242 67 A C -0.065 177.388 177.584 -0.218 0.000 1.075 67 A CA 0.082 51.863 52.037 -0.428 0.000 0.777 67 A CB 0.076 19.012 19.000 -0.106 0.000 1.013 67 A HN 0.797 nan 8.150 nan 0.000 0.493 68 D N 2.172 122.508 120.400 -0.108 0.000 2.359 68 D HA 0.290 4.930 4.640 -0.001 0.000 0.230 68 D C 0.792 177.073 176.300 -0.032 0.000 1.118 68 D CA -0.450 53.511 54.000 -0.065 0.000 0.844 68 D CB 0.850 41.627 40.800 -0.037 0.000 1.059 68 D HN 0.378 nan 8.370 nan 0.000 0.493 69 M N 3.271 122.849 119.600 -0.037 0.000 2.117 69 M HA -0.160 4.320 4.480 -0.001 0.000 0.262 69 M C 1.859 178.157 176.300 -0.004 0.000 1.065 69 M CA 1.800 57.087 55.300 -0.021 0.000 1.114 69 M CB -0.428 32.156 32.600 -0.027 0.000 1.361 69 M HN 0.426 nan 8.290 nan 0.000 0.408 70 S N -0.126 115.571 115.700 -0.005 0.000 2.402 70 S HA 0.006 4.476 4.470 -0.001 0.000 0.229 70 S C 2.115 176.734 174.600 0.032 0.000 1.021 70 S CA 0.953 59.159 58.200 0.009 0.000 0.974 70 S CB -1.143 62.054 63.200 -0.004 0.000 0.800 70 S HN 0.542 nan 8.310 nan 0.000 0.484 71 A N 2.021 124.851 122.820 0.017 0.000 1.930 71 A HA 0.225 4.545 4.320 -0.001 0.000 0.217 71 A C 2.271 179.903 177.584 0.080 0.000 1.175 71 A CA 1.050 53.109 52.037 0.036 0.000 0.627 71 A CB -0.760 18.246 19.000 0.010 0.000 0.815 71 A HN 0.517 nan 8.150 nan 0.000 0.443 72 L N -1.190 120.062 121.223 0.049 0.000 2.046 72 L HA -0.177 4.163 4.340 -0.001 0.000 0.208 72 L C 2.826 179.719 176.870 0.038 0.000 1.077 72 L CA 1.579 56.443 54.840 0.040 0.000 0.747 72 L CB -0.516 41.553 42.059 0.016 0.000 0.896 72 L HN 0.412 nan 8.230 nan 0.000 0.432 73 R N -0.809 119.715 120.500 0.040 0.000 2.083 73 R HA -0.225 4.115 4.340 -0.001 0.000 0.237 73 R C 2.513 178.849 176.300 0.060 0.000 1.137 73 R CA 1.637 57.758 56.100 0.036 0.000 0.951 73 R CB -0.434 29.886 30.300 0.033 0.000 0.851 73 R HN 0.438 nan 8.270 nan 0.000 0.434 74 H N -0.455 118.614 119.070 -0.002 0.000 2.387 74 H HA -0.090 4.466 4.556 -0.001 0.000 0.299 74 H C 1.726 177.058 175.328 0.005 0.000 1.090 74 H CA 1.755 57.805 56.048 0.002 0.000 1.332 74 H CB -0.128 29.635 29.762 0.002 0.000 1.386 74 H HN 0.376 nan 8.280 nan 0.000 0.516 75 G N 0.701 109.557 108.800 0.093 0.000 2.459 75 G HA2 -0.267 3.692 3.960 -0.001 0.000 0.217 75 G HA3 -0.267 3.692 3.960 -0.001 0.000 0.217 75 G C 1.883 176.772 174.900 -0.017 0.000 1.183 75 G CA 1.672 46.793 45.100 0.035 0.000 0.776 75 G HN 0.461 nan 8.290 nan 0.000 0.552 76 V N 0.498 120.404 119.914 -0.013 0.000 2.626 76 V HA 0.154 4.273 4.120 -0.001 0.000 0.252 76 V C 2.879 178.956 176.094 -0.029 0.000 1.067 76 V CA 2.077 64.368 62.300 -0.013 0.000 1.081 76 V CB -0.617 31.200 31.823 -0.011 0.000 0.686 76 V HN 0.446 nan 8.190 nan 0.000 0.468 77 A N 0.218 122.999 122.820 -0.065 0.000 1.933 77 A HA -0.211 4.109 4.320 -0.001 0.000 0.218 77 A C 2.396 179.911 177.584 -0.114 0.000 1.175 77 A CA 2.252 54.234 52.037 -0.092 0.000 0.628 77 A CB -0.600 18.322 19.000 -0.131 0.000 0.814 77 A HN 0.673 nan 8.150 nan 0.000 0.444 78 K N -0.826 119.479 120.400 -0.160 0.000 2.005 78 K HA -0.114 4.205 4.320 -0.001 0.000 0.206 78 K C 0.916 177.487 176.600 -0.048 0.000 1.044 78 K CA 1.532 57.742 56.287 -0.128 0.000 0.942 78 K CB -0.118 32.285 32.500 -0.162 0.000 0.727 78 K HN 0.400 nan 8.250 nan 0.000 0.439 79 D N -1.603 118.783 120.400 -0.023 0.000 2.366 79 D HA 0.077 4.717 4.640 -0.001 0.000 0.205 79 D C 1.070 177.389 176.300 0.032 0.000 1.022 79 D CA 1.005 55.012 54.000 0.011 0.000 0.868 79 D CB 1.071 41.885 40.800 0.024 0.000 0.953 79 D HN 0.594 nan 8.370 nan 0.000 0.514 80 G N 0.854 109.671 108.800 0.028 0.000 2.234 80 G HA2 -0.233 3.727 3.960 -0.001 0.000 0.235 80 G HA3 -0.233 3.727 3.960 -0.001 0.000 0.235 80 G C 0.157 175.116 174.900 0.099 0.000 0.997 80 G CA 0.319 45.456 45.100 0.060 0.000 0.623 80 G HN 0.439 nan 8.290 nan 0.000 0.514 81 V N 0.521 120.478 119.914 0.070 0.000 3.012 81 V HA 0.597 4.716 4.120 -0.001 0.000 0.307 81 V C 1.355 177.452 176.094 0.006 0.000 1.166 81 V CA 0.259 62.596 62.300 0.061 0.000 0.974 81 V CB 2.119 34.027 31.823 0.143 0.000 1.040 81 V HN 0.847 nan 8.190 nan 0.000 0.428 82 V N 3.842 123.729 119.914 -0.045 0.000 2.719 82 V HA -0.020 4.100 4.120 -0.001 0.000 0.252 82 V C 2.229 178.307 176.094 -0.027 0.000 1.065 82 V CA 1.964 64.239 62.300 -0.042 0.000 1.086 82 V CB -0.620 31.162 31.823 -0.069 0.000 0.700 82 V HN 1.077 nan 8.190 nan 0.000 0.467 83 V N 1.034 120.930 119.914 -0.029 0.000 2.358 83 V HA -0.037 4.083 4.120 -0.001 0.000 0.246 83 V C 0.446 176.485 176.094 -0.091 0.000 1.047 83 V CA 2.341 64.601 62.300 -0.067 0.000 1.035 83 V CB -1.472 30.303 31.823 -0.079 0.000 0.658 83 V HN 0.470 nan 8.190 nan 0.000 0.452 84 P HA -0.222 nan 4.420 nan 0.000 0.216 84 P C 1.692 178.982 177.300 -0.017 0.000 1.157 84 P CA 2.396 65.481 63.100 -0.025 0.000 0.880 84 P CB -0.062 31.648 31.700 0.017 0.000 0.791 85 E N -0.687 119.516 120.200 0.005 0.000 2.072 85 E HA -0.151 4.198 4.350 -0.001 0.000 0.191 85 E C 1.827 178.444 176.600 0.028 0.000 0.985 85 E CA 0.758 57.175 56.400 0.028 0.000 0.801 85 E CB -1.232 28.498 29.700 0.049 0.000 0.750 85 E HN 0.005 nan 8.360 nan 0.000 0.452 86 L N 0.181 121.412 121.223 0.013 0.000 2.046 86 L HA -0.129 4.210 4.340 -0.001 0.000 0.208 86 L C 2.007 178.869 176.870 -0.014 0.000 1.077 86 L CA 1.496 56.357 54.840 0.035 0.000 0.747 86 L CB -0.420 41.650 42.059 0.018 0.000 0.896 86 L HN 0.227 nan 8.230 nan 0.000 0.432 87 I N -0.471 120.048 120.570 -0.086 0.000 2.252 87 I HA -0.227 3.942 4.170 -0.001 0.000 0.245 87 I C 2.655 178.730 176.117 -0.071 0.000 1.102 87 I CA 1.193 62.419 61.300 -0.124 0.000 1.385 87 I CB -1.329 36.530 38.000 -0.235 0.000 1.064 87 I HN 0.423 nan 8.210 nan 0.000 0.414 88 R N 1.008 121.489 120.500 -0.031 0.000 2.096 88 R HA -0.225 4.114 4.340 -0.001 0.000 0.240 88 R C 2.213 178.518 176.300 0.007 0.000 1.139 88 R CA 1.820 57.918 56.100 -0.002 0.000 0.952 88 R CB -0.127 30.185 30.300 0.020 0.000 0.854 88 R HN 0.465 nan 8.270 nan 0.000 0.436 89 Q N -0.375 119.451 119.800 0.043 0.000 2.124 89 Q HA -0.150 4.190 4.340 -0.001 0.000 0.202 89 Q C 2.246 178.247 176.000 0.002 0.000 0.977 89 Q CA 1.822 57.702 55.803 0.127 0.000 0.850 89 Q CB -0.038 28.873 28.738 0.288 0.000 0.901 89 Q HN 0.427 nan 8.270 nan 0.000 0.429 90 M N -0.176 119.276 119.600 -0.246 0.000 2.132 90 M HA -0.146 4.334 4.480 -0.001 0.000 0.263 90 M C 2.068 178.179 176.300 -0.316 0.000 1.065 90 M CA 1.394 56.332 55.300 -0.604 0.000 1.122 90 M CB -0.106 32.204 32.600 -0.482 0.000 1.365 90 M HN 0.096 nan 8.290 nan 0.000 0.411 91 R N 0.037 120.442 120.500 -0.158 0.000 2.120 91 R HA -0.083 4.256 4.340 -0.001 0.000 0.234 91 R C 2.231 178.491 176.300 -0.066 0.000 1.123 91 R CA 1.392 57.436 56.100 -0.094 0.000 0.975 91 R CB -0.487 29.784 30.300 -0.049 0.000 0.866 91 R HN 0.364 nan 8.270 nan 0.000 0.446 92 A N 1.077 123.872 122.820 -0.041 0.000 2.015 92 A HA -0.035 4.285 4.320 -0.001 0.000 0.219 92 A C 2.235 179.826 177.584 0.011 0.000 1.163 92 A CA 1.480 53.517 52.037 0.002 0.000 0.646 92 A CB -0.306 18.717 19.000 0.040 0.000 0.806 92 A HN 0.370 nan 8.150 nan 0.000 0.448 93 A N -0.773 122.041 122.820 -0.010 0.000 2.119 93 A HA 0.367 4.686 4.320 -0.001 0.000 0.216 93 A C 0.742 178.314 177.584 -0.019 0.000 1.152 93 A CA 0.627 52.676 52.037 0.020 0.000 0.708 93 A CB -0.245 18.784 19.000 0.048 0.000 0.805 93 A HN 0.281 nan 8.150 nan 0.000 0.460 94 V N 0.632 120.514 119.914 -0.054 0.000 2.394 94 V HA 0.578 4.698 4.120 -0.001 0.000 0.282 94 V C 0.531 176.601 176.094 -0.041 0.000 1.031 94 V CA -0.627 61.641 62.300 -0.055 0.000 0.881 94 V CB 0.875 32.648 31.823 -0.083 0.000 0.982 94 V HN 0.431 nan 8.190 nan 0.000 0.451 95 A N 4.011 126.811 122.820 -0.032 0.000 2.340 95 A HA 0.824 5.144 4.320 -0.001 0.000 0.268 95 A C 0.902 178.464 177.584 -0.038 0.000 1.100 95 A CA 0.533 52.554 52.037 -0.027 0.000 0.803 95 A CB 0.191 19.180 19.000 -0.018 0.000 1.043 95 A HN 2.082 nan 8.150 nan 0.000 0.488 96 G N 0.721 109.500 108.800 -0.035 0.000 2.645 96 G HA2 -0.253 3.707 3.960 -0.001 0.000 0.239 96 G HA3 -0.253 3.707 3.960 -0.001 0.000 0.239 96 G C 0.582 175.449 174.900 -0.055 0.000 1.331 96 G CA 0.495 45.572 45.100 -0.039 0.000 0.890 96 G HN 0.868 nan 8.290 nan 0.000 0.572 97 Q N -0.438 119.326 119.800 -0.061 0.000 2.248 97 Q HA -0.078 4.261 4.340 -0.001 0.000 0.208 97 Q C 3.119 179.044 176.000 -0.126 0.000 0.984 97 Q CA 2.193 57.946 55.803 -0.083 0.000 0.875 97 Q CB -0.307 28.383 28.738 -0.080 0.000 0.910 97 Q HN 1.035 nan 8.270 nan 0.000 0.433 98 A N 0.890 123.632 122.820 -0.131 0.000 2.070 98 A HA -0.061 4.258 4.320 -0.001 0.000 0.220 98 A C 2.258 179.732 177.584 -0.183 0.000 1.159 98 A CA 1.269 53.194 52.037 -0.188 0.000 0.656 98 A CB -0.521 18.392 19.000 -0.144 0.000 0.800 98 A HN 0.403 nan 8.150 nan 0.000 0.453 99 A N 0.533 123.280 122.820 -0.122 0.000 1.972 99 A HA -0.179 4.140 4.320 -0.001 0.000 0.219 99 A C 1.576 179.106 177.584 -0.090 0.000 1.169 99 A CA 1.666 53.645 52.037 -0.097 0.000 0.635 99 A CB -0.480 18.480 19.000 -0.067 0.000 0.810 99 A HN 0.503 nan 8.150 nan 0.000 0.446 100 D N -0.074 120.264 120.400 -0.102 0.000 2.310 100 D HA -0.088 4.552 4.640 -0.001 0.000 0.212 100 D C 1.314 177.545 176.300 -0.114 0.000 0.965 100 D CA 0.823 54.773 54.000 -0.083 0.000 0.879 100 D CB -0.073 40.674 40.800 -0.089 0.000 0.921 100 D HN 0.363 nan 8.370 nan 0.000 0.510 101 K N 0.729 120.990 120.400 -0.232 0.000 2.361 101 K HA 0.073 4.392 4.320 -0.001 0.000 0.194 101 K C 0.957 177.478 176.600 -0.132 0.000 1.032 101 K CA -0.103 55.963 56.287 -0.369 0.000 1.048 101 K CB 0.552 32.478 32.500 -0.956 0.000 0.842 101 K HN 0.131 nan 8.250 nan 0.000 0.526 102 V N 1.332 121.215 119.914 -0.053 0.000 2.740 102 V HA 0.021 4.141 4.120 -0.001 0.000 0.303 102 V C 0.538 176.772 176.094 0.233 0.000 1.054 102 V CA 0.356 62.694 62.300 0.063 0.000 1.106 102 V CB 0.198 32.023 31.823 0.003 0.000 0.957 102 V HN 0.763 nan 8.190 nan 0.000 0.486 103 H N 2.533 121.690 119.070 0.146 0.000 3.237 103 H HA -0.233 4.323 4.556 -0.001 0.000 0.231 103 H C -0.353 175.129 175.328 0.257 0.000 1.148 103 H CA 0.924 57.092 56.048 0.201 0.000 1.155 103 H CB -2.079 27.774 29.762 0.151 0.000 1.210 103 H HN 0.875 nan 8.280 nan 0.000 0.317 104 F N 0.893 120.909 119.950 0.110 0.000 2.543 104 F HA 0.344 4.870 4.527 -0.001 0.000 0.375 104 F C 1.687 177.557 175.800 0.116 0.000 1.075 104 F CA 1.679 59.739 58.000 0.101 0.000 1.225 104 F CB 0.185 39.286 39.000 0.168 0.000 1.099 104 F HN 0.416 nan 8.300 nan 0.000 0.561 105 G N 3.682 112.064 108.800 -0.697 0.000 2.184 105 G HA2 -0.201 3.759 3.960 -0.001 0.000 0.264 105 G HA3 -0.201 3.759 3.960 -0.001 0.000 0.264 105 G C 0.016 174.795 174.900 -0.202 0.000 0.975 105 G CA 0.077 44.852 45.100 -0.541 0.000 0.642 105 G HN 1.246 nan 8.290 nan 0.000 0.536 106 A N -0.962 121.773 122.820 -0.142 0.000 2.294 106 A HA 0.915 5.235 4.320 -0.001 0.000 0.330 106 A C 0.273 177.694 177.584 -0.271 0.000 1.133 106 A CA 0.791 52.808 52.037 -0.033 0.000 0.836 106 A CB 1.593 20.693 19.000 0.165 0.000 1.190 106 A HN 1.000 nan 8.150 nan 0.000 0.492 107 T N -0.907 113.618 114.554 -0.049 0.000 2.926 107 T HA 0.415 4.764 4.350 -0.001 0.000 0.289 107 T C 1.465 176.255 174.700 0.151 0.000 1.054 107 T CA 0.230 62.340 62.100 0.018 0.000 1.015 107 T CB 1.356 70.178 68.868 -0.076 0.000 1.167 107 T HN 0.559 nan 8.240 nan 0.000 0.526 108 S N 0.712 116.515 115.700 0.172 0.000 2.365 108 S HA -0.190 4.279 4.470 -0.001 0.000 0.225 108 S C 1.930 176.613 174.600 0.138 0.000 1.039 108 S CA 2.018 60.321 58.200 0.172 0.000 1.033 108 S CB -0.437 62.875 63.200 0.187 0.000 0.887 108 S HN 0.767 nan 8.310 nan 0.000 0.447 109 Q N 0.687 120.493 119.800 0.010 0.000 2.135 109 Q HA -0.196 4.143 4.340 -0.001 0.000 0.204 109 Q C 1.277 177.204 176.000 -0.121 0.000 0.981 109 Q CA 1.637 57.356 55.803 -0.141 0.000 0.856 109 Q CB -0.134 28.111 28.738 -0.821 0.000 0.902 109 Q HN 0.431 nan 8.270 nan 0.000 0.425 110 D N -0.158 120.178 120.400 -0.108 0.000 2.104 110 D HA -0.179 4.460 4.640 -0.001 0.000 0.194 110 D C 1.868 177.875 176.300 -0.488 0.000 0.994 110 D CA 1.563 55.489 54.000 -0.124 0.000 0.830 110 D CB -0.405 40.463 40.800 0.113 0.000 0.959 110 D HN 0.289 nan 8.370 nan 0.000 0.452 111 V N 0.515 120.108 119.914 -0.535 0.000 2.488 111 V HA -0.112 4.007 4.120 -0.001 0.000 0.246 111 V C 2.167 178.097 176.094 -0.272 0.000 1.046 111 V CA 0.855 62.725 62.300 -0.718 0.000 1.053 111 V CB -0.273 31.307 31.823 -0.404 0.000 0.679 111 V HN 0.101 nan 8.190 nan 0.000 0.458 112 I N 0.417 120.946 120.570 -0.068 0.000 2.202 112 I HA -0.146 4.024 4.170 -0.001 0.000 0.242 112 I C 2.313 178.496 176.117 0.110 0.000 1.091 112 I CA 2.003 63.328 61.300 0.041 0.000 1.368 112 I CB -0.561 37.561 38.000 0.204 0.000 1.058 112 I HN 0.299 nan 8.210 nan 0.000 0.410 113 D N 0.300 120.791 120.400 0.150 0.000 2.183 113 D HA -0.105 4.535 4.640 -0.001 0.000 0.203 113 D C 2.208 178.621 176.300 0.187 0.000 0.969 113 D CA 1.235 55.347 54.000 0.187 0.000 0.842 113 D CB -0.128 40.638 40.800 -0.058 0.000 0.957 113 D HN 0.249 nan 8.370 nan 0.000 0.484 114 T N -0.369 114.222 114.554 0.063 0.000 2.770 114 T HA -0.139 4.211 4.350 -0.001 0.000 0.263 114 T C 2.000 176.769 174.700 0.115 0.000 1.039 114 T CA 1.420 63.597 62.100 0.129 0.000 1.142 114 T CB -0.300 68.626 68.868 0.097 0.000 0.868 114 T HN 0.050 nan 8.240 nan 0.000 0.435 115 S N 1.158 116.883 115.700 0.041 0.000 2.359 115 S HA -0.164 4.306 4.470 -0.001 0.000 0.223 115 S C 2.059 176.685 174.600 0.043 0.000 1.039 115 S CA 1.442 59.661 58.200 0.032 0.000 1.042 115 S CB -0.642 62.553 63.200 -0.009 0.000 0.915 115 S HN 0.308 nan 8.310 nan 0.000 0.439 116 L N 1.565 122.842 121.223 0.090 0.000 1.990 116 L HA -0.085 4.254 4.340 -0.001 0.000 0.213 116 L C 2.445 179.399 176.870 0.140 0.000 1.072 116 L CA 2.238 57.162 54.840 0.140 0.000 0.755 116 L CB -0.697 41.511 42.059 0.248 0.000 0.889 116 L HN 0.352 nan 8.230 nan 0.000 0.432 117 M N -1.316 118.409 119.600 0.209 0.000 2.213 117 M HA -0.170 4.309 4.480 -0.001 0.000 0.263 117 M C 2.368 178.694 176.300 0.044 0.000 1.062 117 M CA 1.524 56.954 55.300 0.216 0.000 1.105 117 M CB -1.012 31.797 32.600 0.349 0.000 1.385 117 M HN 0.337 nan 8.290 nan 0.000 0.417 118 L N -0.692 120.549 121.223 0.031 0.000 2.046 118 L HA -0.224 4.115 4.340 -0.001 0.000 0.208 118 L C 2.539 179.325 176.870 -0.139 0.000 1.077 118 L CA 1.383 56.199 54.840 -0.041 0.000 0.747 118 L CB -0.366 41.696 42.059 0.005 0.000 0.896 118 L HN 0.264 nan 8.230 nan 0.000 0.432 119 R N -0.729 119.686 120.500 -0.140 0.000 2.127 119 R HA 0.025 4.365 4.340 -0.001 0.000 0.217 119 R C 2.200 178.336 176.300 -0.273 0.000 1.074 119 R CA 0.584 56.546 56.100 -0.229 0.000 0.991 119 R CB -0.115 30.015 30.300 -0.283 0.000 0.895 119 R HN 0.251 nan 8.270 nan 0.000 0.450 120 L N 0.925 122.025 121.223 -0.204 0.000 2.141 120 L HA -0.146 4.194 4.340 -0.001 0.000 0.209 120 L C 2.527 179.042 176.870 -0.592 0.000 1.094 120 L CA 1.288 56.011 54.840 -0.194 0.000 0.763 120 L CB -0.360 41.670 42.059 -0.049 0.000 0.908 120 L HN 0.174 nan 8.230 nan 0.000 0.437 121 K N 0.475 120.278 120.400 -0.994 0.000 2.057 121 K HA -0.177 4.142 4.320 -0.001 0.000 0.207 121 K C 2.165 178.444 176.600 -0.535 0.000 1.049 121 K CA 1.360 56.852 56.287 -1.325 0.000 0.931 121 K CB -0.007 31.922 32.500 -0.952 0.000 0.714 121 K HN 0.198 nan 8.250 nan 0.000 0.440 122 M N 0.162 119.561 119.600 -0.334 0.000 2.132 122 M HA -0.112 4.368 4.480 -0.001 0.000 0.263 122 M C 2.350 178.578 176.300 -0.120 0.000 1.065 122 M CA 1.591 56.780 55.300 -0.185 0.000 1.122 122 M CB -0.240 32.262 32.600 -0.163 0.000 1.365 122 M HN 0.263 nan 8.290 nan 0.000 0.411 123 A N 0.519 123.270 122.820 -0.114 0.000 1.908 123 A HA -0.085 4.235 4.320 -0.001 0.000 0.218 123 A C 2.368 180.012 177.584 0.099 0.000 1.181 123 A CA 2.013 54.060 52.037 0.017 0.000 0.627 123 A CB -0.976 18.090 19.000 0.109 0.000 0.818 123 A HN 0.502 nan 8.150 nan 0.000 0.445 124 A N -0.482 122.408 122.820 0.117 0.000 1.969 124 A HA -0.114 4.205 4.320 -0.001 0.000 0.218 124 A C 1.896 179.574 177.584 0.157 0.000 1.169 124 A CA 1.507 53.694 52.037 0.250 0.000 0.635 124 A CB -0.428 18.833 19.000 0.435 0.000 0.810 124 A HN 0.654 nan 8.150 nan 0.000 0.445 125 E N -0.232 120.004 120.200 0.061 0.000 2.047 125 E HA -0.149 4.200 4.350 -0.001 0.000 0.191 125 E C 1.849 178.480 176.600 0.051 0.000 0.987 125 E CA 1.278 57.709 56.400 0.051 0.000 0.799 125 E CB -0.289 29.414 29.700 0.005 0.000 0.752 125 E HN 0.692 nan 8.360 nan 0.000 0.449 126 I N 1.040 121.631 120.570 0.036 0.000 2.163 126 I HA -0.293 3.877 4.170 -0.001 0.000 0.243 126 I C 2.375 178.523 176.117 0.052 0.000 1.085 126 I CA 1.108 62.427 61.300 0.032 0.000 1.347 126 I CB -0.215 37.797 38.000 0.020 0.000 1.044 126 I HN 0.109 nan 8.210 nan 0.000 0.408 127 I N 0.602 121.218 120.570 0.076 0.000 2.226 127 I HA -0.302 3.868 4.170 -0.001 0.000 0.245 127 I C 2.762 178.933 176.117 0.090 0.000 1.100 127 I CA 1.403 62.754 61.300 0.084 0.000 1.374 127 I CB -0.447 37.616 38.000 0.105 0.000 1.057 127 I HN 0.200 nan 8.210 nan 0.000 0.413 128 A N 0.236 123.120 122.820 0.107 0.000 1.902 128 A HA -0.188 4.132 4.320 -0.001 0.000 0.217 128 A C 2.366 180.003 177.584 0.087 0.000 1.181 128 A CA 2.332 54.433 52.037 0.106 0.000 0.623 128 A CB -1.041 18.033 19.000 0.123 0.000 0.818 128 A HN 0.388 nan 8.150 nan 0.000 0.443 129 T N -0.313 114.286 114.554 0.074 0.000 2.746 129 T HA -0.136 4.214 4.350 -0.001 0.000 0.267 129 T C 2.035 176.782 174.700 0.078 0.000 1.039 129 T CA 1.520 63.660 62.100 0.067 0.000 1.142 129 T CB -0.229 68.666 68.868 0.044 0.000 0.866 129 T HN 0.490 nan 8.240 nan 0.000 0.444 130 R N 0.066 120.604 120.500 0.064 0.000 2.148 130 R HA 0.058 4.398 4.340 -0.001 0.000 0.227 130 R C 2.216 178.573 176.300 0.096 0.000 1.103 130 R CA 0.554 56.694 56.100 0.067 0.000 0.983 130 R CB -0.369 29.957 30.300 0.043 0.000 0.874 130 R HN 0.204 nan 8.270 nan 0.000 0.451 131 L N 0.051 121.325 121.223 0.086 0.000 2.027 131 L HA -0.010 4.330 4.340 -0.001 0.000 0.206 131 L C 2.234 179.147 176.870 0.072 0.000 1.074 131 L CA 1.959 56.846 54.840 0.078 0.000 0.745 131 L CB -1.282 40.828 42.059 0.084 0.000 0.898 131 L HN 0.180 nan 8.230 nan 0.000 0.433 132 G N -1.937 106.911 108.800 0.080 0.000 2.422 132 G HA2 -0.320 3.639 3.960 -0.001 0.000 0.218 132 G HA3 -0.320 3.639 3.960 -0.001 0.000 0.218 132 G C 1.694 176.636 174.900 0.070 0.000 1.146 132 G CA 0.823 45.962 45.100 0.066 0.000 0.769 132 G HN 0.549 nan 8.290 nan 0.000 0.547 133 H N 0.002 119.081 119.070 0.015 0.000 2.389 133 H HA 0.004 4.560 4.556 -0.001 0.000 0.299 133 H C 2.435 177.765 175.328 0.003 0.000 1.081 133 H CA 1.343 57.398 56.048 0.011 0.000 1.345 133 H CB 0.004 29.775 29.762 0.015 0.000 1.393 133 H HN 0.273 nan 8.280 nan 0.000 0.520 134 L N 0.916 122.199 121.223 0.100 0.000 2.156 134 L HA -0.047 4.293 4.340 -0.001 0.000 0.208 134 L C 2.325 179.166 176.870 -0.049 0.000 1.095 134 L CA 1.034 55.889 54.840 0.026 0.000 0.770 134 L CB -0.634 41.444 42.059 0.031 0.000 0.914 134 L HN 0.220 nan 8.230 nan 0.000 0.439 135 I N -0.386 120.163 120.570 -0.035 0.000 2.315 135 I HA -0.253 3.916 4.170 -0.001 0.000 0.248 135 I C 1.779 177.860 176.117 -0.059 0.000 1.117 135 I CA 1.184 62.457 61.300 -0.045 0.000 1.404 135 I CB -0.361 37.625 38.000 -0.024 0.000 1.071 135 I HN 0.253 nan 8.210 nan 0.000 0.419 136 D N 0.012 120.361 120.400 -0.086 0.000 2.183 136 D HA -0.110 4.530 4.640 -0.001 0.000 0.203 136 D C 2.209 178.436 176.300 -0.122 0.000 0.969 136 D CA 1.242 55.178 54.000 -0.108 0.000 0.842 136 D CB -0.386 40.325 40.800 -0.147 0.000 0.957 136 D HN 0.239 nan 8.370 nan 0.000 0.484 137 T N 1.233 115.694 114.554 -0.155 0.000 2.668 137 T HA -0.100 4.250 4.350 -0.001 0.000 0.262 137 T C 1.876 176.549 174.700 -0.044 0.000 1.045 137 T CA 0.495 62.531 62.100 -0.106 0.000 1.152 137 T CB -0.271 68.553 68.868 -0.072 0.000 0.864 137 T HN -0.003 nan 8.240 nan 0.000 0.419 138 L N 1.304 122.495 121.223 -0.052 0.000 2.079 138 L HA 0.049 4.388 4.340 -0.001 0.000 0.210 138 L C 2.757 179.639 176.870 0.020 0.000 1.081 138 L CA 1.596 56.425 54.840 -0.019 0.000 0.752 138 L CB -1.437 40.567 42.059 -0.093 0.000 0.896 138 L HN 0.391 nan 8.230 nan 0.000 0.433 139 G N -1.307 107.485 108.800 -0.014 0.000 2.432 139 G HA2 -0.238 3.722 3.960 -0.001 0.000 0.219 139 G HA3 -0.238 3.722 3.960 -0.001 0.000 0.219 139 G C 1.255 176.153 174.900 -0.003 0.000 1.135 139 G CA 0.722 45.815 45.100 -0.012 0.000 0.767 139 G HN 0.344 nan 8.290 nan 0.000 0.550 140 D N 0.415 120.810 120.400 -0.007 0.000 2.183 140 D HA -0.012 4.628 4.640 -0.001 0.000 0.203 140 D C 2.568 178.885 176.300 0.027 0.000 0.969 140 D CA 0.264 54.266 54.000 0.003 0.000 0.842 140 D CB -0.154 40.640 40.800 -0.010 0.000 0.957 140 D HN 0.283 nan 8.370 nan 0.000 0.484 141 L N 0.411 121.662 121.223 0.047 0.000 2.201 141 L HA -0.065 4.274 4.340 -0.001 0.000 0.212 141 L C 2.304 179.223 176.870 0.082 0.000 1.105 141 L CA 0.833 55.724 54.840 0.084 0.000 0.775 141 L CB -0.226 41.918 42.059 0.141 0.000 0.913 141 L HN -0.008 nan 8.230 nan 0.000 0.440 142 A N -0.602 122.252 122.820 0.057 0.000 1.975 142 A HA -0.127 4.192 4.320 -0.001 0.000 0.215 142 A C 2.483 180.069 177.584 0.004 0.000 1.170 142 A CA 1.294 53.341 52.037 0.016 0.000 0.656 142 A CB -0.354 18.636 19.000 -0.016 0.000 0.821 142 A HN 0.426 nan 8.150 nan 0.000 0.449 143 S N -0.416 115.294 115.700 0.017 0.000 2.436 143 S HA -0.113 4.357 4.470 -0.001 0.000 0.228 143 S C 2.046 176.672 174.600 0.042 0.000 1.014 143 S CA 1.072 59.288 58.200 0.026 0.000 0.950 143 S CB -0.344 62.869 63.200 0.021 0.000 0.784 143 S HN 0.587 nan 8.310 nan 0.000 0.504 144 R N 0.754 121.279 120.500 0.041 0.000 2.062 144 R HA 0.015 4.354 4.340 -0.001 0.000 0.229 144 R C 0.521 176.853 176.300 0.054 0.000 1.128 144 R CA 1.775 57.903 56.100 0.046 0.000 0.960 144 R CB -0.079 30.248 30.300 0.045 0.000 0.855 144 R HN 0.380 nan 8.270 nan 0.000 0.432 145 D N -1.396 119.035 120.400 0.052 0.000 2.479 145 D HA 0.117 4.757 4.640 -0.001 0.000 0.218 145 D C 1.035 177.351 176.300 0.028 0.000 1.177 145 D CA 0.151 54.182 54.000 0.051 0.000 0.830 145 D CB 1.085 41.920 40.800 0.059 0.000 1.014 145 D HN 0.414 nan 8.370 nan 0.000 0.503 146 G N -0.017 108.782 108.800 -0.003 0.000 2.470 146 G HA2 -0.229 3.731 3.960 -0.001 0.000 0.220 146 G HA3 -0.229 3.731 3.960 -0.001 0.000 0.220 146 G C 1.106 175.865 174.900 -0.236 0.000 1.121 146 G CA 0.687 45.714 45.100 -0.121 0.000 0.766 146 G HN 0.346 nan 8.290 nan 0.000 0.553 147 H N -0.350 118.715 119.070 -0.007 0.000 2.551 147 H HA 0.259 4.815 4.556 -0.001 0.000 0.271 147 H C 0.676 176.001 175.328 -0.004 0.000 0.984 147 H CA -0.141 55.902 56.048 -0.009 0.000 1.164 147 H CB 0.435 30.192 29.762 -0.007 0.000 1.437 147 H HN 0.191 nan 8.280 nan 0.000 0.550 148 K N 2.133 122.578 120.400 0.075 0.000 2.382 148 K HA 0.102 4.422 4.320 -0.001 0.000 0.275 148 K C -2.585 174.030 176.600 0.025 0.000 1.009 148 K CA -1.649 54.668 56.287 0.050 0.000 0.970 148 K CB 0.352 32.879 32.500 0.045 0.000 0.934 148 K HN 0.040 nan 8.250 nan 0.000 0.479 149 P HA 0.211 nan 4.420 nan 0.000 0.278 149 P C -0.763 176.546 177.300 0.014 0.000 1.238 149 P CA -0.230 62.877 63.100 0.011 0.000 0.794 149 P CB 0.693 32.400 31.700 0.012 0.000 0.955 150 L N 1.424 122.649 121.223 0.004 0.000 2.381 150 L HA 0.373 4.713 4.340 -0.001 0.000 0.268 150 L C 0.107 176.978 176.870 0.002 0.000 0.997 150 L CA -0.668 54.186 54.840 0.023 0.000 0.818 150 L CB 2.106 44.182 42.059 0.027 0.000 1.310 150 L HN 0.226 nan 8.230 nan 0.000 0.416 151 T N 1.971 116.533 114.554 0.014 0.000 2.769 151 T HA 0.198 4.547 4.350 -0.001 0.000 0.293 151 T C 0.575 175.203 174.700 -0.118 0.000 0.931 151 T CA -0.284 61.761 62.100 -0.091 0.000 1.139 151 T CB 0.794 69.599 68.868 -0.107 0.000 0.881 151 T HN 0.712 nan 8.240 nan 0.000 0.532 152 G N 2.060 110.759 108.800 -0.168 0.000 2.594 152 G HA2 0.416 4.376 3.960 -0.001 0.000 0.243 152 G HA3 0.416 4.376 3.960 -0.001 0.000 0.243 152 G C -1.216 173.514 174.900 -0.283 0.000 1.229 152 G CA -0.312 44.722 45.100 -0.110 0.000 0.843 152 G HN 0.686 nan 8.290 nan 0.000 0.578 153 Y N -0.243 120.062 120.300 0.009 0.000 2.331 153 Y HA 0.452 5.002 4.550 -0.000 0.000 0.326 153 Y C 0.395 176.303 175.900 0.014 0.000 1.020 153 Y CA -0.700 57.408 58.100 0.014 0.000 1.136 153 Y CB 2.502 40.976 38.460 0.022 0.000 1.157 153 Y HN 0.722 nan 8.280 nan 0.000 0.444 154 T N 0.436 115.062 114.554 0.120 0.000 2.824 154 T HA 0.513 4.863 4.350 -0.001 0.000 0.282 154 T C -0.241 174.509 174.700 0.084 0.000 0.993 154 T CA -1.117 61.031 62.100 0.081 0.000 0.967 154 T CB 1.337 70.226 68.868 0.034 0.000 0.960 154 T HN 0.722 nan 8.240 nan 0.000 0.441 155 R N 3.221 123.766 120.500 0.074 0.000 3.251 155 R HA -0.161 4.179 4.340 -0.001 0.000 0.249 155 R C 0.115 176.458 176.300 0.071 0.000 0.949 155 R CA 0.364 56.500 56.100 0.060 0.000 0.645 155 R CB -1.712 28.613 30.300 0.042 0.000 1.065 155 R HN 0.831 nan 8.270 nan 0.000 0.452 156 M N -2.413 117.242 119.600 0.093 0.000 2.653 156 M HA -0.221 4.258 4.480 -0.001 0.000 0.203 156 M C -0.401 175.986 176.300 0.145 0.000 0.502 156 M CA 1.598 56.954 55.300 0.093 0.000 0.601 156 M CB -1.598 31.029 32.600 0.046 0.000 2.228 156 M HN 0.506 nan 8.290 nan 0.000 0.711 157 Q N -0.909 119.016 119.800 0.208 0.000 2.379 157 Q HA 0.747 5.086 4.340 -0.001 0.000 0.278 157 Q C -0.306 175.782 176.000 0.147 0.000 1.068 157 Q CA -0.178 55.737 55.803 0.187 0.000 0.816 157 Q CB 2.358 31.144 28.738 0.079 0.000 1.387 157 Q HN 0.402 nan 8.270 nan 0.000 0.413 158 A N 1.190 124.003 122.820 -0.011 0.000 2.566 158 A HA 0.449 4.769 4.320 -0.001 0.000 0.245 158 A C 0.064 177.492 177.584 -0.260 0.000 1.056 158 A CA 0.949 52.725 52.037 -0.435 0.000 0.757 158 A CB -0.043 18.787 19.000 -0.284 0.000 0.979 158 A HN 0.728 nan 8.150 nan 0.000 0.508 159 A N 2.646 125.276 122.820 -0.316 0.000 3.158 159 A HA 0.796 5.115 4.320 -0.001 0.000 0.217 159 A C 0.585 178.072 177.584 -0.161 0.000 1.469 159 A CA -0.234 51.704 52.037 -0.165 0.000 0.885 159 A CB -0.206 18.727 19.000 -0.111 0.000 1.662 159 A HN 1.372 nan 8.150 nan 0.000 0.512 160 I N -1.695 118.813 120.570 -0.104 0.000 3.211 160 I HA 0.573 4.742 4.170 -0.001 0.000 0.297 160 I C 0.752 176.816 176.117 -0.088 0.000 1.095 160 I CA -0.437 60.813 61.300 -0.084 0.000 1.239 160 I CB 0.068 38.035 38.000 -0.055 0.000 1.455 160 I HN 0.538 nan 8.210 nan 0.000 0.630 161 G N 2.537 111.298 108.800 -0.065 0.000 2.343 161 G HA2 0.466 4.426 3.960 -0.001 0.000 0.254 161 G HA3 0.466 4.426 3.960 -0.001 0.000 0.254 161 G C -0.283 174.590 174.900 -0.045 0.000 1.277 161 G CA -0.568 44.501 45.100 -0.053 0.000 0.909 161 G HN 0.786 nan 8.290 nan 0.000 0.502 162 I N -0.128 120.415 120.570 -0.045 0.000 3.654 162 I HA 0.888 5.058 4.170 -0.001 0.000 0.278 162 I C 0.495 176.585 176.117 -0.045 0.000 1.193 162 I CA -1.104 60.168 61.300 -0.047 0.000 1.087 162 I CB 1.985 39.952 38.000 -0.056 0.000 1.372 162 I HN 0.512 nan 8.210 nan 0.000 0.507 163 T N -1.766 112.749 114.554 -0.066 0.000 2.841 163 T HA 0.451 4.801 4.350 -0.001 0.000 0.276 163 T C 0.783 175.424 174.700 -0.098 0.000 1.003 163 T CA -0.580 61.477 62.100 -0.072 0.000 0.995 163 T CB 1.455 70.264 68.868 -0.097 0.000 1.260 163 T HN 0.370 nan 8.240 nan 0.000 0.581 164 V N 1.113 120.971 119.914 -0.093 0.000 2.427 164 V HA -0.020 4.099 4.120 -0.001 0.000 0.248 164 V C 3.174 179.155 176.094 -0.189 0.000 1.051 164 V CA 2.209 64.445 62.300 -0.107 0.000 1.048 164 V CB -1.569 30.230 31.823 -0.039 0.000 0.666 164 V HN 1.038 nan 8.190 nan 0.000 0.456 165 A N -0.106 122.596 122.820 -0.197 0.000 1.940 165 A HA -0.256 4.063 4.320 -0.001 0.000 0.219 165 A C 1.994 179.444 177.584 -0.224 0.000 1.176 165 A CA 1.982 53.889 52.037 -0.216 0.000 0.631 165 A CB -0.554 18.296 19.000 -0.250 0.000 0.814 165 A HN 0.559 nan 8.150 nan 0.000 0.446 166 D N -0.590 119.688 120.400 -0.203 0.000 2.084 166 D HA -0.176 4.463 4.640 -0.001 0.000 0.194 166 D C 2.130 178.278 176.300 -0.253 0.000 0.990 166 D CA 1.814 55.703 54.000 -0.184 0.000 0.826 166 D CB -0.291 40.428 40.800 -0.134 0.000 0.971 166 D HN 0.531 nan 8.370 nan 0.000 0.453 167 R N 1.165 121.475 120.500 -0.316 0.000 2.075 167 R HA -0.012 4.328 4.340 -0.001 0.000 0.232 167 R C 2.094 177.813 176.300 -0.967 0.000 1.126 167 R CA 1.678 57.486 56.100 -0.487 0.000 0.963 167 R CB -0.499 29.581 30.300 -0.368 0.000 0.858 167 R HN 0.062 nan 8.270 nan 0.000 0.435 168 A N 0.746 123.010 122.820 -0.926 0.000 1.940 168 A HA -0.089 4.230 4.320 -0.001 0.000 0.219 168 A C 2.434 179.731 177.584 -0.479 0.000 1.176 168 A CA 1.736 53.229 52.037 -0.906 0.000 0.631 168 A CB -1.101 17.675 19.000 -0.373 0.000 0.814 168 A HN 0.554 nan 8.150 nan 0.000 0.446 169 A N -0.562 122.056 122.820 -0.337 0.000 1.940 169 A HA 0.052 4.372 4.320 -0.001 0.000 0.219 169 A C 2.295 179.785 177.584 -0.157 0.000 1.176 169 A CA 1.913 53.835 52.037 -0.192 0.000 0.631 169 A CB -1.234 17.672 19.000 -0.156 0.000 0.814 169 A HN 0.820 nan 8.150 nan 0.000 0.446 170 G N -2.395 106.270 108.800 -0.225 0.000 2.650 170 G HA2 -0.033 3.927 3.960 -0.001 0.000 0.214 170 G HA3 -0.033 3.927 3.960 -0.001 0.000 0.214 170 G C 1.160 176.101 174.900 0.068 0.000 1.136 170 G CA 0.648 45.690 45.100 -0.097 0.000 0.789 170 G HN 0.606 nan 8.290 nan 0.000 0.536 171 W N 0.132 121.418 121.300 -0.023 0.000 2.574 171 W HA 0.355 5.015 4.660 -0.000 0.000 0.282 171 W C 2.205 178.646 176.519 -0.130 0.000 1.197 171 W CA -0.332 56.974 57.345 -0.065 0.000 1.376 171 W CB -0.774 28.610 29.460 -0.128 0.000 1.091 171 W HN 0.139 nan 8.180 nan 0.000 0.569 172 I N 0.588 121.212 120.570 0.089 0.000 2.277 172 I HA -0.145 4.024 4.170 -0.001 0.000 0.243 172 I C 2.609 178.697 176.117 -0.049 0.000 1.094 172 I CA 1.394 62.692 61.300 -0.003 0.000 1.393 172 I CB -1.015 36.974 38.000 -0.019 0.000 1.078 172 I HN -0.200 nan 8.210 nan 0.000 0.417 173 A N 1.904 124.692 122.820 -0.054 0.000 1.902 173 A HA -0.106 4.214 4.320 -0.001 0.000 0.217 173 A C -0.018 177.494 177.584 -0.121 0.000 1.181 173 A CA 1.708 53.702 52.037 -0.072 0.000 0.623 173 A CB -2.002 16.963 19.000 -0.057 0.000 0.818 173 A HN 0.300 nan 8.150 nan 0.000 0.443 174 P HA -0.071 nan 4.420 nan 0.000 0.226 174 P C 1.430 178.319 177.300 -0.685 0.000 1.153 174 P CA 0.713 63.618 63.100 -0.326 0.000 0.777 174 P CB -0.112 31.474 31.700 -0.190 0.000 0.794 175 L N -0.210 120.802 121.223 -0.352 0.000 2.072 175 L HA -0.089 4.250 4.340 -0.001 0.000 0.205 175 L C 2.629 179.414 176.870 -0.141 0.000 1.079 175 L CA 1.402 56.098 54.840 -0.240 0.000 0.752 175 L CB -0.915 41.093 42.059 -0.083 0.000 0.906 175 L HN -0.044 nan 8.230 nan 0.000 0.436 176 E N 0.098 120.234 120.200 -0.106 0.000 2.097 176 E HA -0.253 4.097 4.350 -0.001 0.000 0.196 176 E C 2.334 178.909 176.600 -0.042 0.000 1.000 176 E CA 1.253 57.622 56.400 -0.052 0.000 0.804 176 E CB -0.047 29.627 29.700 -0.042 0.000 0.740 176 E HN 0.371 nan 8.360 nan 0.000 0.454 177 R N -0.198 120.244 120.500 -0.097 0.000 2.092 177 R HA -0.108 4.231 4.340 -0.001 0.000 0.231 177 R C 2.180 178.529 176.300 0.082 0.000 1.119 177 R CA 1.127 57.211 56.100 -0.028 0.000 0.970 177 R CB -0.236 30.038 30.300 -0.044 0.000 0.864 177 R HN 0.320 nan 8.270 nan 0.000 0.440 178 H N 0.497 119.585 119.070 0.030 0.000 2.428 178 H HA -0.043 4.512 4.556 -0.001 0.000 0.296 178 H C 2.042 177.396 175.328 0.043 0.000 1.062 178 H CA 0.620 56.686 56.048 0.030 0.000 1.350 178 H CB -0.262 29.512 29.762 0.020 0.000 1.403 178 H HN 0.144 nan 8.280 nan 0.000 0.533 179 L N 0.077 121.390 121.223 0.149 0.000 2.027 179 L HA -0.156 4.184 4.340 -0.001 0.000 0.206 179 L C 2.271 179.207 176.870 0.111 0.000 1.074 179 L CA 0.983 55.892 54.840 0.114 0.000 0.745 179 L CB -0.227 41.877 42.059 0.076 0.000 0.898 179 L HN 0.213 nan 8.230 nan 0.000 0.433 180 L N 0.089 121.368 121.223 0.092 0.000 2.083 180 L HA -0.208 4.132 4.340 -0.001 0.000 0.209 180 L C 2.657 179.590 176.870 0.105 0.000 1.083 180 L CA 1.636 56.527 54.840 0.085 0.000 0.752 180 L CB -0.555 41.541 42.059 0.062 0.000 0.899 180 L HN 0.125 nan 8.230 nan 0.000 0.433 181 R N -1.022 119.553 120.500 0.124 0.000 2.081 181 R HA -0.145 4.195 4.340 -0.001 0.000 0.235 181 R C 2.322 178.724 176.300 0.169 0.000 1.131 181 R CA 1.687 57.868 56.100 0.135 0.000 0.960 181 R CB -0.449 29.929 30.300 0.130 0.000 0.856 181 R HN 0.399 nan 8.270 nan 0.000 0.436 182 L N 0.722 122.047 121.223 0.170 0.000 2.072 182 L HA -0.150 4.189 4.340 -0.001 0.000 0.205 182 L C 1.927 178.949 176.870 0.253 0.000 1.079 182 L CA 1.499 56.472 54.840 0.221 0.000 0.752 182 L CB -0.150 42.024 42.059 0.191 0.000 0.906 182 L HN 0.255 nan 8.230 nan 0.000 0.436 183 E N -0.888 119.421 120.200 0.182 0.000 2.077 183 E HA -0.206 4.144 4.350 -0.001 0.000 0.193 183 E C 1.917 178.597 176.600 0.135 0.000 0.989 183 E CA 1.840 58.331 56.400 0.153 0.000 0.800 183 E CB -0.034 29.732 29.700 0.109 0.000 0.746 183 E HN 0.460 nan 8.360 nan 0.000 0.452 184 T N 0.783 115.412 114.554 0.123 0.000 2.746 184 T HA -0.164 4.186 4.350 -0.001 0.000 0.267 184 T C 1.483 176.225 174.700 0.070 0.000 1.039 184 T CA 0.967 63.117 62.100 0.084 0.000 1.142 184 T CB -0.383 68.531 68.868 0.077 0.000 0.866 184 T HN 0.158 nan 8.240 nan 0.000 0.444 185 F N 2.084 122.036 119.950 0.003 0.000 2.126 185 F HA -0.071 4.456 4.527 -0.000 0.000 0.299 185 F C 2.419 178.134 175.800 -0.141 0.000 1.096 185 F CA 1.126 59.083 58.000 -0.071 0.000 1.255 185 F CB -0.410 38.576 39.000 -0.023 0.000 0.997 185 F HN 0.145 nan 8.300 nan 0.000 0.479 186 A N -0.488 122.434 122.820 0.170 0.000 2.121 186 A HA -0.180 4.140 4.320 -0.001 0.000 0.218 186 A C 2.022 179.655 177.584 0.082 0.000 1.154 186 A CA 1.425 53.604 52.037 0.236 0.000 0.679 186 A CB -0.666 18.551 19.000 0.362 0.000 0.795 186 A HN 0.606 nan 8.150 nan 0.000 0.458 187 Q N -0.709 119.082 119.800 -0.014 0.000 2.050 187 Q HA -0.072 4.267 4.340 -0.001 0.000 0.202 187 Q C 0.988 176.934 176.000 -0.091 0.000 0.980 187 Q CA 1.466 57.249 55.803 -0.032 0.000 0.840 187 Q CB -0.002 28.716 28.738 -0.034 0.000 0.898 187 Q HN 0.637 nan 8.270 nan 0.000 0.424 188 N N -2.013 116.553 118.700 -0.223 0.000 2.082 188 N HA 0.086 4.825 4.740 -0.001 0.000 0.228 188 N C 0.876 176.101 175.510 -0.475 0.000 1.341 188 N CA 0.399 53.292 53.050 -0.261 0.000 0.873 188 N CB 1.232 39.596 38.487 -0.205 0.000 1.137 188 N HN 0.186 nan 8.380 nan 0.000 0.505 189 G N -0.021 108.254 108.800 -0.875 0.000 2.511 189 G HA2 -0.035 3.925 3.960 -0.001 0.000 0.217 189 G HA3 -0.035 3.925 3.960 -0.001 0.000 0.217 189 G C 0.138 174.391 174.900 -1.078 0.000 1.133 189 G CA 0.271 44.460 45.100 -1.518 0.000 0.792 189 G HN 0.066 nan 8.290 nan 0.000 0.539 190 F N 1.713 121.479 119.950 -0.307 0.000 2.377 190 F HA 0.664 5.190 4.527 -0.001 0.000 0.360 190 F C 0.598 176.341 175.800 -0.095 0.000 1.147 190 F CA -1.522 56.391 58.000 -0.147 0.000 1.170 190 F CB 0.848 39.803 39.000 -0.075 0.000 1.339 190 F HN 0.075 nan 8.300 nan 0.000 0.552 191 A N 3.443 126.279 122.820 0.027 0.000 2.312 191 A HA 0.654 4.974 4.320 -0.001 0.000 0.326 191 A C -0.603 177.188 177.584 0.345 0.000 1.172 191 A CA -0.810 51.280 52.037 0.088 0.000 0.821 191 A CB 0.817 19.744 19.000 -0.121 0.000 1.166 191 A HN 0.684 nan 8.150 nan 0.000 0.493 192 L N 0.906 122.317 121.223 0.313 0.000 2.514 192 L HA 0.223 4.562 4.340 -0.001 0.000 0.280 192 L C 0.311 177.486 176.870 0.508 0.000 1.223 192 L CA 0.883 55.939 54.840 0.359 0.000 0.864 192 L CB 0.359 42.576 42.059 0.264 0.000 1.118 192 L HN 0.764 nan 8.230 nan 0.000 0.494 193 Q N 4.164 124.187 119.800 0.371 0.000 2.347 193 Q HA 0.475 4.814 4.340 -0.001 0.000 0.262 193 Q C -1.801 174.356 176.000 0.262 0.000 0.980 193 Q CA -0.118 55.740 55.803 0.093 0.000 0.867 193 Q CB 0.771 29.344 28.738 -0.275 0.000 1.242 193 Q HN 0.525 nan 8.270 nan 0.000 0.453 194 F N 3.459 123.407 119.950 -0.003 0.000 3.164 194 F HA 0.609 5.136 4.527 -0.001 0.000 0.375 194 F C -0.042 175.728 175.800 -0.050 0.000 1.257 194 F CA -0.506 57.538 58.000 0.074 0.000 1.171 194 F CB 1.311 40.400 39.000 0.148 0.000 1.588 194 F HN 0.585 nan 8.300 nan 0.000 0.604 195 G N 1.805 110.437 108.800 -0.280 0.000 2.799 195 G HA2 0.470 4.430 3.960 -0.001 0.000 0.201 195 G HA3 0.470 4.430 3.960 -0.001 0.000 0.201 195 G C 0.557 175.317 174.900 -0.232 0.000 1.142 195 G CA 0.399 45.271 45.100 -0.381 0.000 0.910 195 G HN 1.532 nan 8.290 nan 0.000 0.710 196 G N -0.363 108.352 108.800 -0.143 0.000 2.760 196 G HA2 0.263 4.223 3.960 -0.001 0.000 0.246 196 G HA3 0.263 4.223 3.960 -0.001 0.000 0.246 196 G C 1.185 176.045 174.900 -0.067 0.000 1.359 196 G CA 0.488 45.497 45.100 -0.152 0.000 0.861 196 G HN 1.311 nan 8.290 nan 0.000 0.541 197 A N -0.650 122.112 122.820 -0.097 0.000 1.909 197 A HA 0.219 4.539 4.320 -0.001 0.000 0.221 197 A C 2.361 179.900 177.584 -0.075 0.000 1.223 197 A CA 4.091 56.080 52.037 -0.080 0.000 0.658 197 A CB -0.594 18.367 19.000 -0.066 0.000 0.831 197 A HN 2.639 nan 8.150 nan 0.000 0.462 198 A N -3.189 119.599 122.820 -0.052 0.000 2.674 198 A HA 0.509 4.828 4.320 -0.001 0.000 0.286 198 A C 1.323 178.904 177.584 -0.005 0.000 0.980 198 A CA 0.713 52.731 52.037 -0.032 0.000 1.028 198 A CB -0.587 18.390 19.000 -0.040 0.000 1.199 198 A HN 2.149 nan 8.150 nan 0.000 0.499 199 G N -0.302 108.518 108.800 0.034 0.000 2.176 199 G HA2 -0.296 3.664 3.960 -0.001 0.000 0.253 199 G HA3 -0.296 3.664 3.960 -0.001 0.000 0.253 199 G C 0.937 175.754 174.900 -0.139 0.000 0.979 199 G CA 1.356 46.422 45.100 -0.057 0.000 0.641 199 G HN 1.515 nan 8.290 nan 0.000 0.530 200 T N -1.458 113.022 114.554 -0.123 0.000 3.044 200 T HA 0.524 4.874 4.350 -0.001 0.000 0.260 200 T C 1.265 175.866 174.700 -0.165 0.000 1.019 200 T CA 0.549 62.572 62.100 -0.128 0.000 0.921 200 T CB 0.070 68.884 68.868 -0.090 0.000 1.053 200 T HN 1.209 nan 8.240 nan 0.000 0.533 201 L N 2.118 123.201 121.223 -0.233 0.000 3.739 201 L HA -0.204 4.136 4.340 -0.001 0.000 0.442 201 L C 1.954 178.701 176.870 -0.204 0.000 1.241 201 L CA 0.706 55.367 54.840 -0.299 0.000 0.819 201 L CB -1.372 40.463 42.059 -0.373 0.000 1.679 201 L HN 0.528 nan 8.230 nan 0.000 0.889 202 E N 0.223 120.326 120.200 -0.162 0.000 2.268 202 E HA -0.194 4.156 4.350 -0.001 0.000 0.195 202 E C 1.370 177.909 176.600 -0.102 0.000 0.995 202 E CA 1.151 57.486 56.400 -0.109 0.000 0.836 202 E CB 0.070 29.720 29.700 -0.083 0.000 0.763 202 E HN 0.517 nan 8.360 nan 0.000 0.491 203 K N 0.565 120.861 120.400 -0.174 0.000 2.288 203 K HA 0.104 4.424 4.320 -0.001 0.000 0.201 203 K C 2.161 178.704 176.600 -0.095 0.000 1.048 203 K CA 0.455 56.622 56.287 -0.199 0.000 0.956 203 K CB 0.044 32.201 32.500 -0.572 0.000 0.746 203 K HN 0.304 nan 8.250 nan 0.000 0.461 204 L N -0.682 120.480 121.223 -0.102 0.000 2.513 204 L HA 0.092 4.431 4.340 -0.001 0.000 0.222 204 L C 1.427 178.304 176.870 0.012 0.000 1.096 204 L CA 0.417 55.254 54.840 -0.006 0.000 0.857 204 L CB -0.588 41.458 42.059 -0.022 0.000 1.026 204 L HN 0.261 nan 8.230 nan 0.000 0.469 205 G N 1.346 110.137 108.800 -0.016 0.000 2.622 205 G HA2 -0.387 3.573 3.960 -0.001 0.000 0.307 205 G HA3 -0.387 3.573 3.960 -0.001 0.000 0.307 205 G C 0.511 175.405 174.900 -0.009 0.000 1.226 205 G CA 0.541 45.636 45.100 -0.008 0.000 0.997 205 G HN 0.280 nan 8.290 nan 0.000 0.551 206 D N 1.207 121.607 120.400 0.001 0.000 2.310 206 D HA -0.026 4.613 4.640 -0.001 0.000 0.212 206 D C 2.107 178.409 176.300 0.004 0.000 0.965 206 D CA 1.127 55.127 54.000 -0.000 0.000 0.879 206 D CB -0.325 40.477 40.800 0.002 0.000 0.921 206 D HN 0.514 nan 8.370 nan 0.000 0.510 207 N N 0.172 118.879 118.700 0.012 0.000 2.398 207 N HA 0.072 4.812 4.740 -0.001 0.000 0.188 207 N C 1.627 177.155 175.510 0.029 0.000 1.122 207 N CA 0.227 53.288 53.050 0.020 0.000 0.866 207 N CB 0.349 38.853 38.487 0.029 0.000 0.970 207 N HN 0.028 nan 8.380 nan 0.000 0.462 208 A N 0.724 123.551 122.820 0.012 0.000 1.908 208 A HA -0.089 4.231 4.320 -0.001 0.000 0.218 208 A C 2.325 179.932 177.584 0.040 0.000 1.181 208 A CA 1.891 53.931 52.037 0.005 0.000 0.627 208 A CB -1.172 17.792 19.000 -0.060 0.000 0.818 208 A HN 0.381 nan 8.150 nan 0.000 0.445 209 G N -0.755 108.059 108.800 0.022 0.000 2.404 209 G HA2 0.047 4.007 3.960 -0.001 0.000 0.215 209 G HA3 0.047 4.007 3.960 -0.001 0.000 0.215 209 G C 1.769 176.693 174.900 0.041 0.000 1.174 209 G CA 1.421 46.539 45.100 0.029 0.000 0.780 209 G HN 0.798 nan 8.290 nan 0.000 0.537 210 A N 0.095 122.933 122.820 0.029 0.000 1.898 210 A HA 0.104 4.424 4.320 -0.001 0.000 0.216 210 A C 2.612 180.211 177.584 0.025 0.000 1.181 210 A CA 1.825 53.874 52.037 0.019 0.000 0.620 210 A CB -0.655 18.349 19.000 0.005 0.000 0.819 210 A HN 0.248 nan 8.150 nan 0.000 0.442 211 V N 0.169 120.112 119.914 0.049 0.000 2.295 211 V HA -0.269 3.851 4.120 -0.001 0.000 0.246 211 V C 2.652 178.787 176.094 0.069 0.000 1.049 211 V CA 2.309 64.641 62.300 0.054 0.000 1.024 211 V CB -0.846 31.049 31.823 0.120 0.000 0.648 211 V HN 0.674 nan 8.190 nan 0.000 0.447 212 R N 0.227 120.842 120.500 0.192 0.000 2.091 212 R HA -0.205 4.134 4.340 -0.001 0.000 0.238 212 R C 2.264 178.620 176.300 0.093 0.000 1.136 212 R CA 1.822 58.060 56.100 0.230 0.000 0.959 212 R CB -0.442 30.038 30.300 0.300 0.000 0.856 212 R HN 0.500 nan 8.270 nan 0.000 0.437 213 A N 0.759 123.616 122.820 0.061 0.000 1.898 213 A HA -0.198 4.121 4.320 -0.001 0.000 0.216 213 A C 1.865 179.452 177.584 0.006 0.000 1.181 213 A CA 1.779 53.835 52.037 0.032 0.000 0.620 213 A CB -0.660 18.353 19.000 0.022 0.000 0.819 213 A HN 0.476 nan 8.150 nan 0.000 0.442 214 D N -0.334 120.059 120.400 -0.011 0.000 2.097 214 D HA -0.147 4.492 4.640 -0.001 0.000 0.195 214 D C 1.834 178.098 176.300 -0.060 0.000 0.989 214 D CA 1.416 55.395 54.000 -0.035 0.000 0.827 214 D CB -0.325 40.446 40.800 -0.048 0.000 0.966 214 D HN 0.232 nan 8.370 nan 0.000 0.456 215 L N 0.648 121.813 121.223 -0.097 0.000 2.042 215 L HA -0.073 4.267 4.340 -0.001 0.000 0.210 215 L C 2.199 179.017 176.870 -0.086 0.000 1.076 215 L CA 2.328 57.068 54.840 -0.166 0.000 0.749 215 L CB -1.042 40.812 42.059 -0.341 0.000 0.893 215 L HN 0.061 nan 8.230 nan 0.000 0.432 216 A N -0.618 122.188 122.820 -0.022 0.000 1.902 216 A HA -0.251 4.069 4.320 -0.001 0.000 0.217 216 A C 2.473 180.066 177.584 0.015 0.000 1.181 216 A CA 1.955 54.008 52.037 0.027 0.000 0.623 216 A CB -0.679 18.355 19.000 0.057 0.000 0.818 216 A HN 0.502 nan 8.150 nan 0.000 0.443 217 K N -0.272 120.128 120.400 0.000 0.000 2.026 217 K HA -0.162 4.158 4.320 -0.001 0.000 0.208 217 K C 2.247 178.842 176.600 -0.008 0.000 1.048 217 K CA 1.473 57.759 56.287 -0.002 0.000 0.929 217 K CB -0.241 32.255 32.500 -0.008 0.000 0.713 217 K HN 0.448 nan 8.250 nan 0.000 0.439 218 R N 0.232 120.718 120.500 -0.024 0.000 2.105 218 R HA -0.076 4.264 4.340 -0.001 0.000 0.239 218 R C 2.216 178.507 176.300 -0.016 0.000 1.135 218 R CA 1.254 57.336 56.100 -0.029 0.000 0.967 218 R CB -0.143 30.123 30.300 -0.057 0.000 0.861 218 R HN 0.258 nan 8.270 nan 0.000 0.442 219 L N -0.911 120.309 121.223 -0.006 0.000 2.567 219 L HA 0.207 4.547 4.340 -0.001 0.000 0.225 219 L C 0.999 177.885 176.870 0.026 0.000 1.119 219 L CA 0.271 55.122 54.840 0.018 0.000 0.871 219 L CB 0.253 42.341 42.059 0.048 0.000 1.036 219 L HN 0.410 nan 8.230 nan 0.000 0.459 220 G N 1.244 110.058 108.800 0.022 0.000 2.198 220 G HA2 -0.264 3.696 3.960 -0.001 0.000 0.257 220 G HA3 -0.264 3.696 3.960 -0.001 0.000 0.257 220 G C -0.082 174.846 174.900 0.047 0.000 1.042 220 G CA 0.175 45.290 45.100 0.026 0.000 0.791 220 G HN 0.244 nan 8.290 nan 0.000 0.502 221 L N -0.706 120.555 121.223 0.063 0.000 2.286 221 L HA 0.861 5.201 4.340 -0.001 0.000 0.265 221 L C 1.014 177.927 176.870 0.072 0.000 1.012 221 L CA -0.944 53.952 54.840 0.094 0.000 0.818 221 L CB 1.639 43.780 42.059 0.136 0.000 1.337 221 L HN 0.269 nan 8.230 nan 0.000 0.438 222 A N 0.328 123.184 122.820 0.060 0.000 2.462 222 A HA 0.150 4.469 4.320 -0.001 0.000 0.243 222 A C -0.465 177.152 177.584 0.056 0.000 1.076 222 A CA -0.060 51.990 52.037 0.023 0.000 0.773 222 A CB 0.015 18.988 19.000 -0.046 0.000 1.010 222 A HN 0.683 nan 8.150 nan 0.000 0.493 223 D N 1.105 121.532 120.400 0.043 0.000 2.393 223 D HA 0.433 5.073 4.640 -0.001 0.000 0.232 223 D C 0.016 176.348 176.300 0.054 0.000 1.192 223 D CA 0.171 54.210 54.000 0.065 0.000 0.882 223 D CB 0.031 40.860 40.800 0.048 0.000 1.038 223 D HN 0.457 nan 8.370 nan 0.000 0.499 224 R N 3.047 123.601 120.500 0.090 0.000 2.795 224 R HA 0.559 4.898 4.340 -0.001 0.000 0.275 224 R C -2.364 174.008 176.300 0.120 0.000 0.981 224 R CA -1.872 54.272 56.100 0.073 0.000 0.917 224 R CB 1.615 31.937 30.300 0.036 0.000 1.202 224 R HN 0.274 nan 8.270 nan 0.000 0.469 225 P HA -0.020 nan 4.420 nan 0.000 0.269 225 P C -1.198 176.161 177.300 0.098 0.000 1.217 225 P CA -0.195 62.936 63.100 0.053 0.000 0.783 225 P CB 0.415 32.121 31.700 0.010 0.000 0.898 226 Q N 1.353 121.121 119.800 -0.053 0.000 2.428 226 Q HA 0.030 4.370 4.340 -0.001 0.000 0.276 226 Q C -0.278 175.654 176.000 -0.115 0.000 1.059 226 Q CA 0.510 56.167 55.803 -0.243 0.000 0.923 226 Q CB -0.084 28.248 28.738 -0.676 0.000 1.283 226 Q HN 0.648 nan 8.270 nan 0.000 0.447 227 W N 1.613 122.784 121.300 -0.216 0.000 1.232 227 W HA 0.327 4.986 4.660 -0.001 0.000 0.294 227 W C -0.645 175.839 176.519 -0.060 0.000 0.854 227 W CA -0.721 56.560 57.345 -0.107 0.000 2.354 227 W CB -1.336 28.097 29.460 -0.045 0.000 1.496 227 W HN 0.911 nan 8.180 nan 0.000 0.511 228 H N 2.219 121.112 119.070 -0.295 0.000 2.390 228 H HA -0.215 4.341 4.556 -0.001 0.000 0.298 228 H C 1.615 176.795 175.328 -0.246 0.000 1.106 228 H CA 2.395 58.208 56.048 -0.391 0.000 1.297 228 H CB 0.173 29.725 29.762 -0.351 0.000 1.375 228 H HN 0.193 nan 8.280 nan 0.000 0.509 229 N N -0.113 118.600 118.700 0.022 0.000 2.187 229 N HA -0.023 4.717 4.740 -0.001 0.000 0.212 229 N C -0.619 174.936 175.510 0.075 0.000 1.152 229 N CA -0.040 53.022 53.050 0.020 0.000 0.872 229 N CB 0.368 38.856 38.487 0.001 0.000 1.025 229 N HN 0.254 nan 8.380 nan 0.000 0.514 230 Q N 0.685 120.574 119.800 0.149 0.000 2.509 230 Q HA 0.369 4.708 4.340 -0.001 0.000 0.236 230 Q C -0.224 175.914 176.000 0.229 0.000 1.073 230 Q CA -0.528 55.373 55.803 0.163 0.000 0.867 230 Q CB 1.085 29.920 28.738 0.162 0.000 1.181 230 Q HN 0.107 nan 8.270 nan 0.000 0.526 231 R N 1.494 122.090 120.500 0.160 0.000 2.466 231 R HA -0.001 4.338 4.340 -0.001 0.000 0.279 231 R C 0.622 176.965 176.300 0.072 0.000 0.976 231 R CA 0.112 56.319 56.100 0.179 0.000 1.081 231 R CB 0.113 30.515 30.300 0.169 0.000 1.215 231 R HN 0.683 nan 8.270 nan 0.000 0.546 232 D N -0.117 120.300 120.400 0.028 0.000 2.219 232 D HA -0.108 4.531 4.640 -0.001 0.000 0.205 232 D C 1.515 177.811 176.300 -0.006 0.000 0.970 232 D CA 1.220 55.213 54.000 -0.012 0.000 0.851 232 D CB -0.241 40.555 40.800 -0.008 0.000 0.943 232 D HN 0.215 nan 8.370 nan 0.000 0.488 233 G N 1.230 110.007 108.800 -0.037 0.000 2.421 233 G HA2 -0.108 3.852 3.960 -0.001 0.000 0.217 233 G HA3 -0.108 3.852 3.960 -0.001 0.000 0.217 233 G C 1.780 176.746 174.900 0.109 0.000 1.143 233 G CA 0.330 45.426 45.100 -0.007 0.000 0.784 233 G HN 0.211 nan 8.290 nan 0.000 0.541 234 I N 1.649 122.264 120.570 0.075 0.000 2.202 234 I HA -0.103 4.067 4.170 -0.001 0.000 0.242 234 I C 3.256 179.438 176.117 0.107 0.000 1.091 234 I CA 1.321 62.717 61.300 0.159 0.000 1.368 234 I CB -1.190 36.937 38.000 0.212 0.000 1.058 234 I HN 0.251 nan 8.210 nan 0.000 0.410 235 A N 0.436 123.253 122.820 -0.004 0.000 1.933 235 A HA -0.239 4.080 4.320 -0.001 0.000 0.218 235 A C 2.355 179.908 177.584 -0.052 0.000 1.175 235 A CA 1.739 53.689 52.037 -0.144 0.000 0.628 235 A CB -0.669 18.042 19.000 -0.481 0.000 0.814 235 A HN 0.510 nan 8.150 nan 0.000 0.444 236 E N -1.508 118.699 120.200 0.011 0.000 2.106 236 E HA -0.176 4.174 4.350 -0.001 0.000 0.192 236 E C 1.718 178.268 176.600 -0.083 0.000 0.984 236 E CA 1.168 57.592 56.400 0.039 0.000 0.806 236 E CB -0.197 29.599 29.700 0.160 0.000 0.750 236 E HN 0.613 nan 8.360 nan 0.000 0.458 237 F N 1.071 120.815 119.950 -0.343 0.000 2.163 237 F HA 0.019 4.546 4.527 -0.001 0.000 0.297 237 F C 2.070 177.715 175.800 -0.260 0.000 1.094 237 F CA 1.317 58.959 58.000 -0.598 0.000 1.290 237 F CB -0.557 38.101 39.000 -0.570 0.000 1.017 237 F HN 0.035 nan 8.300 nan 0.000 0.483 238 A N 0.173 122.910 122.820 -0.139 0.000 1.940 238 A HA -0.285 4.034 4.320 -0.001 0.000 0.219 238 A C 2.023 179.512 177.584 -0.157 0.000 1.176 238 A CA 2.079 54.026 52.037 -0.149 0.000 0.631 238 A CB -1.268 17.726 19.000 -0.010 0.000 0.814 238 A HN 0.563 nan 8.150 nan 0.000 0.446 239 N N -0.171 118.469 118.700 -0.100 0.000 2.142 239 N HA -0.072 4.668 4.740 -0.001 0.000 0.186 239 N C 1.588 176.991 175.510 -0.179 0.000 1.023 239 N CA 1.466 54.469 53.050 -0.078 0.000 0.852 239 N CB -0.299 38.187 38.487 -0.001 0.000 0.998 239 N HN 0.475 nan 8.380 nan 0.000 0.424 240 L N -0.294 120.772 121.223 -0.262 0.000 2.046 240 L HA -0.149 4.191 4.340 -0.001 0.000 0.208 240 L C 1.917 178.580 176.870 -0.346 0.000 1.077 240 L CA 0.533 55.189 54.840 -0.307 0.000 0.747 240 L CB -0.526 41.340 42.059 -0.322 0.000 0.896 240 L HN 0.264 nan 8.230 nan 0.000 0.432 241 L N -0.288 120.683 121.223 -0.419 0.000 2.012 241 L HA -0.239 4.100 4.340 -0.001 0.000 0.210 241 L C 2.819 179.571 176.870 -0.197 0.000 1.073 241 L CA 1.965 56.602 54.840 -0.339 0.000 0.748 241 L CB -1.135 40.691 42.059 -0.388 0.000 0.891 241 L HN 0.211 nan 8.230 nan 0.000 0.431 242 S N -1.611 113.984 115.700 -0.175 0.000 2.461 242 S HA -0.052 4.418 4.470 -0.001 0.000 0.228 242 S C 1.924 176.453 174.600 -0.118 0.000 1.005 242 S CA 0.244 58.380 58.200 -0.107 0.000 0.942 242 S CB -0.050 63.097 63.200 -0.088 0.000 0.776 242 S HN 0.200 nan 8.310 nan 0.000 0.514 243 L N 1.568 122.662 121.223 -0.216 0.000 2.056 243 L HA 0.054 4.393 4.340 -0.001 0.000 0.207 243 L C 2.481 179.138 176.870 -0.355 0.000 1.078 243 L CA 1.288 55.929 54.840 -0.331 0.000 0.749 243 L CB -1.138 40.580 42.059 -0.568 0.000 0.901 243 L HN 0.186 nan 8.230 nan 0.000 0.433 244 V N -0.449 119.280 119.914 -0.308 0.000 2.255 244 V HA -0.328 3.792 4.120 -0.001 0.000 0.247 244 V C 2.577 178.706 176.094 0.059 0.000 1.051 244 V CA 2.283 64.575 62.300 -0.013 0.000 1.018 244 V CB -1.413 30.405 31.823 -0.008 0.000 0.641 244 V HN 0.649 nan 8.190 nan 0.000 0.445 245 T N -1.117 113.451 114.554 0.023 0.000 2.788 245 T HA -0.087 4.263 4.350 -0.001 0.000 0.268 245 T C 1.985 176.734 174.700 0.081 0.000 1.044 245 T CA 1.393 63.534 62.100 0.067 0.000 1.139 245 T CB -0.912 68.005 68.868 0.082 0.000 0.867 245 T HN 0.503 nan 8.240 nan 0.000 0.454 246 G N 1.433 110.268 108.800 0.059 0.000 2.446 246 G HA2 -0.204 3.756 3.960 -0.001 0.000 0.217 246 G HA3 -0.204 3.756 3.960 -0.001 0.000 0.217 246 G C 1.716 176.687 174.900 0.119 0.000 1.168 246 G CA 1.412 46.556 45.100 0.074 0.000 0.771 246 G HN 0.512 nan 8.290 nan 0.000 0.551 247 T N 1.319 115.974 114.554 0.168 0.000 2.746 247 T HA -0.019 4.330 4.350 -0.001 0.000 0.267 247 T C 2.434 177.241 174.700 0.179 0.000 1.039 247 T CA 0.943 63.164 62.100 0.201 0.000 1.142 247 T CB -0.207 68.818 68.868 0.262 0.000 0.866 247 T HN 0.147 nan 8.240 nan 0.000 0.444 248 L N 0.629 121.948 121.223 0.160 0.000 2.141 248 L HA 0.042 4.382 4.340 -0.001 0.000 0.209 248 L C 2.983 179.947 176.870 0.157 0.000 1.094 248 L CA 1.055 56.004 54.840 0.182 0.000 0.763 248 L CB -0.945 41.205 42.059 0.152 0.000 0.908 248 L HN 0.340 nan 8.230 nan 0.000 0.437 249 G N 0.050 108.916 108.800 0.110 0.000 2.440 249 G HA2 -0.283 3.676 3.960 -0.001 0.000 0.218 249 G HA3 -0.283 3.676 3.960 -0.001 0.000 0.218 249 G C 1.725 176.661 174.900 0.061 0.000 1.154 249 G CA 0.540 45.682 45.100 0.069 0.000 0.767 249 G HN 0.153 nan 8.290 nan 0.000 0.552 250 K N 0.360 120.828 120.400 0.113 0.000 1.991 250 K HA -0.130 4.189 4.320 -0.001 0.000 0.212 250 K C 2.205 178.888 176.600 0.137 0.000 1.049 250 K CA 1.428 57.802 56.287 0.144 0.000 0.932 250 K CB -0.654 31.969 32.500 0.204 0.000 0.717 250 K HN 0.338 nan 8.250 nan 0.000 0.441 251 F N 1.082 120.973 119.950 -0.097 0.000 2.087 251 F HA -0.266 4.260 4.527 -0.000 0.000 0.299 251 F C 2.026 177.600 175.800 -0.377 0.000 1.100 251 F CA 2.112 59.804 58.000 -0.512 0.000 1.226 251 F CB -0.670 37.981 39.000 -0.582 0.000 0.983 251 F HN 0.197 nan 8.300 nan 0.000 0.479 252 G N -0.536 108.028 108.800 -0.393 0.000 2.491 252 G HA2 -0.401 3.559 3.960 -0.001 0.000 0.218 252 G HA3 -0.401 3.559 3.960 -0.001 0.000 0.218 252 G C 1.331 176.064 174.900 -0.278 0.000 1.180 252 G CA 1.043 45.903 45.100 -0.400 0.000 0.774 252 G HN 0.451 nan 8.290 nan 0.000 0.562 253 Q N 0.485 120.204 119.800 -0.135 0.000 2.084 253 Q HA -0.078 4.262 4.340 -0.001 0.000 0.202 253 Q C 2.088 178.050 176.000 -0.063 0.000 0.978 253 Q CA 1.965 57.724 55.803 -0.073 0.000 0.844 253 Q CB -0.400 28.331 28.738 -0.010 0.000 0.898 253 Q HN 0.412 nan 8.270 nan 0.000 0.426 254 D N -0.369 120.016 120.400 -0.025 0.000 2.092 254 D HA -0.148 4.492 4.640 -0.001 0.000 0.193 254 D C 1.702 177.993 176.300 -0.016 0.000 0.994 254 D CA 1.159 55.205 54.000 0.077 0.000 0.828 254 D CB -0.164 40.852 40.800 0.360 0.000 0.963 254 D HN 0.264 nan 8.370 nan 0.000 0.450 255 I N 1.038 121.483 120.570 -0.209 0.000 2.226 255 I HA -0.196 3.973 4.170 -0.001 0.000 0.245 255 I C 2.392 178.410 176.117 -0.165 0.000 1.100 255 I CA 0.796 61.948 61.300 -0.246 0.000 1.374 255 I CB -1.314 36.362 38.000 -0.540 0.000 1.057 255 I HN -0.099 nan 8.210 nan 0.000 0.413 256 A N 0.637 123.353 122.820 -0.173 0.000 1.933 256 A HA -0.148 4.172 4.320 -0.001 0.000 0.218 256 A C 2.422 179.951 177.584 -0.091 0.000 1.175 256 A CA 1.230 53.193 52.037 -0.124 0.000 0.628 256 A CB -0.723 18.207 19.000 -0.118 0.000 0.814 256 A HN 0.384 nan 8.150 nan 0.000 0.444 257 L N -1.260 119.913 121.223 -0.085 0.000 2.056 257 L HA -0.149 4.190 4.340 -0.001 0.000 0.207 257 L C 2.818 179.631 176.870 -0.095 0.000 1.078 257 L CA 1.399 56.183 54.840 -0.094 0.000 0.749 257 L CB -0.371 41.626 42.059 -0.103 0.000 0.901 257 L HN 0.394 nan 8.230 nan 0.000 0.433 258 M N -0.972 118.595 119.600 -0.056 0.000 2.213 258 M HA -0.178 4.301 4.480 -0.001 0.000 0.263 258 M C 2.414 178.698 176.300 -0.026 0.000 1.062 258 M CA 1.661 56.948 55.300 -0.022 0.000 1.105 258 M CB -0.482 32.142 32.600 0.040 0.000 1.385 258 M HN 0.316 nan 8.290 nan 0.000 0.417 259 A N 0.238 123.032 122.820 -0.044 0.000 1.898 259 A HA -0.203 4.116 4.320 -0.001 0.000 0.216 259 A C 1.970 179.531 177.584 -0.039 0.000 1.181 259 A CA 1.920 53.932 52.037 -0.042 0.000 0.620 259 A CB -0.702 18.263 19.000 -0.059 0.000 0.819 259 A HN 0.549 nan 8.150 nan 0.000 0.442 260 E N 0.039 120.208 120.200 -0.051 0.000 2.038 260 E HA -0.197 4.153 4.350 -0.001 0.000 0.195 260 E C 1.831 178.407 176.600 -0.040 0.000 1.000 260 E CA 1.619 57.991 56.400 -0.048 0.000 0.803 260 E CB -0.316 29.349 29.700 -0.058 0.000 0.750 260 E HN 0.627 nan 8.360 nan 0.000 0.448 261 I N -0.065 120.474 120.570 -0.052 0.000 2.127 261 I HA -0.189 3.981 4.170 -0.001 0.000 0.241 261 I C 2.056 178.170 176.117 -0.005 0.000 1.075 261 I CA 1.365 62.646 61.300 -0.032 0.000 1.334 261 I CB -0.473 37.496 38.000 -0.050 0.000 1.040 261 I HN 0.557 nan 8.210 nan 0.000 0.405 262 G N 0.133 108.931 108.800 -0.004 0.000 2.179 262 G HA2 -0.308 3.651 3.960 -0.001 0.000 0.260 262 G HA3 -0.308 3.651 3.960 -0.001 0.000 0.260 262 G C 1.010 175.921 174.900 0.018 0.000 0.977 262 G CA 0.707 45.809 45.100 0.004 0.000 0.641 262 G HN 0.492 nan 8.290 nan 0.000 0.533 263 S N -1.184 114.534 115.700 0.031 0.000 2.511 263 S HA 0.374 4.843 4.470 -0.001 0.000 0.214 263 S C 0.950 175.578 174.600 0.046 0.000 0.997 263 S CA 0.774 58.997 58.200 0.038 0.000 0.908 263 S CB 0.529 63.756 63.200 0.045 0.000 0.803 263 S HN 0.442 nan 8.310 nan 0.000 0.504 264 E N 0.453 120.686 120.200 0.054 0.000 2.812 264 E HA 0.510 4.859 4.350 -0.001 0.000 0.211 264 E C -0.865 175.775 176.600 0.068 0.000 0.986 264 E CA -0.069 56.370 56.400 0.066 0.000 1.119 264 E CB 0.958 30.711 29.700 0.088 0.000 1.046 264 E HN 0.466 nan 8.360 nan 0.000 0.474 265 I N 0.244 120.845 120.570 0.051 0.000 2.913 265 I HA 0.407 4.576 4.170 -0.001 0.000 0.302 265 I C -1.585 174.551 176.117 0.032 0.000 1.246 265 I CA -0.843 60.487 61.300 0.050 0.000 1.010 265 I CB 1.796 39.824 38.000 0.046 0.000 1.259 265 I HN -0.149 nan 8.210 nan 0.000 0.434 266 R N 6.832 127.351 120.500 0.032 0.000 2.409 266 R HA 0.632 4.971 4.340 -0.001 0.000 0.313 266 R C -1.468 174.840 176.300 0.014 0.000 0.953 266 R CA -0.670 55.443 56.100 0.021 0.000 0.849 266 R CB 1.838 32.152 30.300 0.023 0.000 1.171 266 R HN 0.471 nan 8.270 nan 0.000 0.458 267 L N 1.962 123.186 121.223 0.002 0.000 2.334 267 L HA 0.522 4.862 4.340 -0.001 0.000 0.275 267 L C 0.573 177.440 176.870 -0.005 0.000 1.036 267 L CA -0.545 54.291 54.840 -0.007 0.000 0.807 267 L CB 1.915 43.960 42.059 -0.024 0.000 1.231 267 L HN 0.725 nan 8.230 nan 0.000 0.438 268 S N 0.542 116.239 115.700 -0.004 0.000 2.786 268 S HA 0.977 5.446 4.470 -0.001 0.000 0.307 268 S C -0.015 174.580 174.600 -0.007 0.000 1.121 268 S CA -0.084 58.114 58.200 -0.002 0.000 0.975 268 S CB 2.016 65.219 63.200 0.005 0.000 1.220 268 S HN 1.168 nan 8.310 nan 0.000 0.550 282 P HA 0.392 nan 4.420 nan 0.000 0.211 282 P C 1.000 178.241 177.300 -0.099 0.000 1.856 282 P CA -0.009 63.036 63.100 -0.091 0.000 0.962 282 P CB 0.411 32.051 31.700 -0.099 0.000 1.785 283 V N 0.316 120.176 119.914 -0.089 0.000 2.332 283 V HA -0.250 3.870 4.120 -0.001 0.000 0.248 283 V C 2.187 178.207 176.094 -0.124 0.000 1.055 283 V CA 1.766 64.008 62.300 -0.096 0.000 1.038 283 V CB -0.828 30.943 31.823 -0.087 0.000 0.651 283 V HN 0.301 nan 8.190 nan 0.000 0.450 284 N N 0.422 119.044 118.700 -0.129 0.000 2.188 284 N HA -0.095 4.645 4.740 -0.001 0.000 0.184 284 N C 1.919 177.331 175.510 -0.163 0.000 1.018 284 N CA 1.598 54.562 53.050 -0.143 0.000 0.858 284 N CB -0.452 37.964 38.487 -0.118 0.000 0.989 284 N HN 0.495 nan 8.380 nan 0.000 0.426 285 A N 1.505 124.210 122.820 -0.192 0.000 1.877 285 A HA -0.160 4.159 4.320 -0.001 0.000 0.216 285 A C 2.079 179.567 177.584 -0.160 0.000 1.186 285 A CA 1.444 53.338 52.037 -0.237 0.000 0.620 285 A CB -0.554 18.289 19.000 -0.262 0.000 0.822 285 A HN 0.342 nan 8.150 nan 0.000 0.443 286 E N -0.815 119.313 120.200 -0.120 0.000 2.110 286 E HA -0.136 4.213 4.350 -0.001 0.000 0.193 286 E C 2.045 178.612 176.600 -0.055 0.000 0.988 286 E CA 1.583 57.937 56.400 -0.077 0.000 0.804 286 E CB -0.340 29.323 29.700 -0.062 0.000 0.745 286 E HN 0.643 nan 8.360 nan 0.000 0.458 287 T N 1.727 116.227 114.554 -0.090 0.000 2.788 287 T HA -0.110 4.240 4.350 -0.001 0.000 0.268 287 T C 1.974 176.662 174.700 -0.019 0.000 1.044 287 T CA 0.694 62.737 62.100 -0.095 0.000 1.139 287 T CB -0.161 68.547 68.868 -0.266 0.000 0.867 287 T HN 0.102 nan 8.240 nan 0.000 0.454 288 L N 0.835 122.034 121.223 -0.040 0.000 2.042 288 L HA -0.121 4.219 4.340 -0.001 0.000 0.210 288 L C 2.673 179.564 176.870 0.035 0.000 1.076 288 L CA 1.127 55.969 54.840 0.003 0.000 0.749 288 L CB -0.859 41.177 42.059 -0.038 0.000 0.893 288 L HN 0.184 nan 8.230 nan 0.000 0.432 289 V N -0.902 119.018 119.914 0.009 0.000 2.307 289 V HA -0.252 3.867 4.120 -0.001 0.000 0.245 289 V C 2.543 178.678 176.094 0.068 0.000 1.045 289 V CA 2.236 64.553 62.300 0.030 0.000 1.024 289 V CB -0.891 30.935 31.823 0.004 0.000 0.651 289 V HN 0.448 nan 8.190 nan 0.000 0.449 290 T N 0.647 115.248 114.554 0.078 0.000 2.699 290 T HA -0.187 4.162 4.350 -0.001 0.000 0.268 290 T C 1.855 176.667 174.700 0.187 0.000 1.036 290 T CA 1.576 63.749 62.100 0.123 0.000 1.147 290 T CB -0.326 68.629 68.868 0.146 0.000 0.862 290 T HN 0.141 nan 8.240 nan 0.000 0.446 291 L N 0.785 122.127 121.223 0.199 0.000 2.109 291 L HA 0.207 4.546 4.340 -0.001 0.000 0.207 291 L C 2.713 179.733 176.870 0.249 0.000 1.086 291 L CA 1.187 56.187 54.840 0.267 0.000 0.760 291 L CB -1.503 40.699 42.059 0.239 0.000 0.910 291 L HN 0.226 nan 8.230 nan 0.000 0.437 292 A N -0.317 122.600 122.820 0.161 0.000 1.865 292 A HA -0.214 4.106 4.320 -0.001 0.000 0.217 292 A C 2.396 180.048 177.584 0.112 0.000 1.191 292 A CA 1.537 53.645 52.037 0.118 0.000 0.623 292 A CB -0.424 18.628 19.000 0.087 0.000 0.826 292 A HN 0.361 nan 8.150 nan 0.000 0.444 293 R N -1.960 118.611 120.500 0.118 0.000 2.115 293 R HA -0.087 4.252 4.340 -0.001 0.000 0.230 293 R C 1.982 178.351 176.300 0.116 0.000 1.111 293 R CA 1.290 57.446 56.100 0.094 0.000 0.976 293 R CB -0.621 29.728 30.300 0.082 0.000 0.870 293 R HN 0.599 nan 8.270 nan 0.000 0.445 294 F N 2.434 122.407 119.950 0.039 0.000 2.046 294 F HA -0.202 4.325 4.527 -0.001 0.000 0.297 294 F C 1.781 177.604 175.800 0.038 0.000 1.123 294 F CA 1.679 59.704 58.000 0.041 0.000 1.199 294 F CB -0.485 38.560 39.000 0.076 0.000 0.972 294 F HN -0.024 nan 8.300 nan 0.000 0.474 295 N N -0.270 118.440 118.700 0.017 0.000 2.244 295 N HA -0.109 4.630 4.740 -0.001 0.000 0.183 295 N C 1.870 177.310 175.510 -0.117 0.000 1.016 295 N CA 0.673 53.659 53.050 -0.106 0.000 0.866 295 N CB -0.269 38.232 38.487 0.022 0.000 0.980 295 N HN 0.378 nan 8.380 nan 0.000 0.430 296 A N 0.530 123.316 122.820 -0.056 0.000 2.070 296 A HA -0.059 4.261 4.320 -0.001 0.000 0.220 296 A C 2.242 179.777 177.584 -0.082 0.000 1.159 296 A CA 0.963 52.968 52.037 -0.054 0.000 0.656 296 A CB -0.284 18.706 19.000 -0.017 0.000 0.800 296 A HN 0.093 nan 8.150 nan 0.000 0.453 297 V N -0.425 119.416 119.914 -0.121 0.000 2.379 297 V HA -0.146 3.974 4.120 -0.001 0.000 0.243 297 V C 2.535 178.521 176.094 -0.180 0.000 1.035 297 V CA 1.617 63.833 62.300 -0.139 0.000 1.035 297 V CB -0.549 31.190 31.823 -0.140 0.000 0.673 297 V HN 0.505 nan 8.190 nan 0.000 0.457 298 Q N -0.459 119.162 119.800 -0.298 0.000 2.224 298 Q HA -0.116 4.223 4.340 -0.001 0.000 0.203 298 Q C 2.133 178.061 176.000 -0.120 0.000 0.970 298 Q CA 1.234 56.878 55.803 -0.266 0.000 0.865 298 Q CB -0.679 27.811 28.738 -0.413 0.000 0.922 298 Q HN 0.595 nan 8.270 nan 0.000 0.445 299 I N 0.776 121.292 120.570 -0.089 0.000 2.335 299 I HA -0.250 3.920 4.170 -0.001 0.000 0.251 299 I C 2.241 178.402 176.117 0.073 0.000 1.129 299 I CA 1.314 62.616 61.300 0.004 0.000 1.402 299 I CB -0.459 37.529 38.000 -0.020 0.000 1.069 299 I HN 0.065 nan 8.210 nan 0.000 0.424 300 S N -0.014 115.685 115.700 -0.003 0.000 2.399 300 S HA -0.123 4.346 4.470 -0.001 0.000 0.231 300 S C 2.262 176.893 174.600 0.052 0.000 1.022 300 S CA 1.188 59.396 58.200 0.014 0.000 0.983 300 S CB -0.509 62.674 63.200 -0.028 0.000 0.803 300 S HN 0.635 nan 8.310 nan 0.000 0.480 301 A N 1.122 123.953 122.820 0.019 0.000 1.898 301 A HA 0.078 4.397 4.320 -0.001 0.000 0.216 301 A C 2.091 179.703 177.584 0.046 0.000 1.181 301 A CA 1.360 53.409 52.037 0.019 0.000 0.620 301 A CB -0.742 18.252 19.000 -0.009 0.000 0.819 301 A HN 0.549 nan 8.150 nan 0.000 0.442 302 L N -1.185 120.074 121.223 0.060 0.000 2.201 302 L HA -0.142 4.197 4.340 -0.001 0.000 0.212 302 L C 2.460 179.317 176.870 -0.021 0.000 1.105 302 L CA 1.102 55.966 54.840 0.041 0.000 0.775 302 L CB -0.541 41.541 42.059 0.039 0.000 0.913 302 L HN 0.469 nan 8.230 nan 0.000 0.440 303 H N -0.660 118.420 119.070 0.016 0.000 2.436 303 H HA -0.036 4.520 4.556 -0.001 0.000 0.294 303 H C 2.023 177.361 175.328 0.017 0.000 1.048 303 H CA 0.895 56.952 56.048 0.017 0.000 1.353 303 H CB 0.330 30.095 29.762 0.004 0.000 1.414 303 H HN 0.391 nan 8.280 nan 0.000 0.536 304 Q N 0.448 120.315 119.800 0.111 0.000 2.167 304 Q HA -0.040 4.300 4.340 -0.001 0.000 0.202 304 Q C 1.911 177.936 176.000 0.041 0.000 0.970 304 Q CA 0.569 56.408 55.803 0.060 0.000 0.855 304 Q CB -0.148 28.612 28.738 0.037 0.000 0.911 304 Q HN 0.181 nan 8.270 nan 0.000 0.438 305 S N 0.910 116.633 115.700 0.038 0.000 2.720 305 S HA 0.109 4.578 4.470 -0.001 0.000 0.222 305 S C 1.652 176.275 174.600 0.039 0.000 0.958 305 S CA 0.001 58.224 58.200 0.039 0.000 0.943 305 S CB -0.102 63.131 63.200 0.055 0.000 0.779 305 S HN 0.275 nan 8.310 nan 0.000 0.526 306 L N 0.453 121.690 121.223 0.023 0.000 2.313 306 L HA 0.097 4.437 4.340 -0.001 0.000 0.214 306 L C 0.356 177.244 176.870 0.029 0.000 1.119 306 L CA 0.487 55.339 54.840 0.019 0.000 0.809 306 L CB -0.043 42.017 42.059 0.002 0.000 0.933 306 L HN 0.117 nan 8.230 nan 0.000 0.449 307 V N 1.476 121.407 119.914 0.029 0.000 2.276 307 V HA 0.102 4.221 4.120 -0.001 0.000 0.249 307 V C -0.048 176.058 176.094 0.020 0.000 1.160 307 V CA 0.026 62.340 62.300 0.023 0.000 1.042 307 V CB 0.123 31.958 31.823 0.020 0.000 1.224 307 V HN 0.279 nan 8.190 nan 0.000 0.496 308 Q N 4.002 123.814 119.800 0.020 0.000 2.413 308 Q HA 0.276 4.615 4.340 -0.001 0.000 0.258 308 Q C 0.086 176.087 176.000 0.002 0.000 1.037 308 Q CA -0.499 55.312 55.803 0.013 0.000 0.764 308 Q CB 1.939 30.689 28.738 0.019 0.000 1.217 308 Q HN 0.810 nan 8.270 nan 0.000 0.490 309 E N 3.738 123.936 120.200 -0.003 0.000 2.390 309 E HA 0.052 4.401 4.350 -0.001 0.000 0.261 309 E C -0.162 176.429 176.600 -0.014 0.000 1.076 309 E CA 0.189 56.586 56.400 -0.006 0.000 0.905 309 E CB 1.033 30.730 29.700 -0.005 0.000 0.984 309 E HN 0.636 nan 8.360 nan 0.000 0.427 310 Q N 0.551 120.343 119.800 -0.013 0.000 1.261 310 Q HA -0.284 4.056 4.340 -0.001 0.000 0.355 310 Q C 0.652 176.638 176.000 -0.024 0.000 0.992 310 Q CA 1.738 57.531 55.803 -0.017 0.000 0.652 310 Q CB -1.162 27.564 28.738 -0.019 0.000 4.564 310 Q HN 0.682 nan 8.270 nan 0.000 0.538 311 E N 0.404 120.585 120.200 -0.032 0.000 2.318 311 E HA 0.215 4.565 4.350 -0.001 0.000 0.193 311 E C 0.006 176.563 176.600 -0.073 0.000 0.998 311 E CA 0.693 57.072 56.400 -0.035 0.000 0.859 311 E CB 0.392 30.073 29.700 -0.032 0.000 0.812 311 E HN 0.243 nan 8.360 nan 0.000 0.492 312 R N -0.649 119.793 120.500 -0.096 0.000 2.536 312 R HA 0.356 4.696 4.340 -0.001 0.000 0.269 312 R C -1.551 174.696 176.300 -0.088 0.000 1.113 312 R CA -0.213 55.791 56.100 -0.161 0.000 0.948 312 R CB 1.626 31.788 30.300 -0.231 0.000 1.237 312 R HN -0.050 nan 8.270 nan 0.000 0.441 313 S N 2.294 117.949 115.700 -0.075 0.000 2.601 313 S HA 0.296 4.766 4.470 -0.001 0.000 0.312 313 S C 0.987 175.621 174.600 0.057 0.000 1.107 313 S CA -0.056 58.138 58.200 -0.009 0.000 1.129 313 S CB 1.120 64.318 63.200 -0.003 0.000 0.982 313 S HN 0.815 nan 8.310 nan 0.000 0.469 314 G N 3.716 112.556 108.800 0.067 0.000 2.440 314 G HA2 -0.176 3.783 3.960 -0.001 0.000 0.218 314 G HA3 -0.176 3.783 3.960 -0.001 0.000 0.218 314 G C 1.580 176.453 174.900 -0.045 0.000 1.154 314 G CA 0.979 46.122 45.100 0.071 0.000 0.767 314 G HN 0.897 nan 8.290 nan 0.000 0.552 315 A N 0.790 123.587 122.820 -0.038 0.000 1.883 315 A HA 0.121 4.441 4.320 -0.001 0.000 0.217 315 A C 2.724 180.268 177.584 -0.065 0.000 1.186 315 A CA 2.285 54.284 52.037 -0.063 0.000 0.624 315 A CB -1.113 17.866 19.000 -0.035 0.000 0.822 315 A HN 0.572 nan 8.150 nan 0.000 0.444 316 G N -2.207 106.584 108.800 -0.014 0.000 2.403 316 G HA2 -0.197 3.762 3.960 -0.001 0.000 0.216 316 G HA3 -0.197 3.762 3.960 -0.001 0.000 0.216 316 G C 1.371 176.291 174.900 0.034 0.000 1.154 316 G CA 0.976 46.082 45.100 0.011 0.000 0.784 316 G HN 0.606 nan 8.290 nan 0.000 0.538 317 W N 1.422 122.593 121.300 -0.215 0.000 2.379 317 W HA 0.062 4.721 4.660 -0.000 0.000 0.307 317 W C 2.545 178.662 176.519 -0.669 0.000 1.200 317 W CA 1.108 58.277 57.345 -0.292 0.000 1.297 317 W CB -0.374 28.937 29.460 -0.249 0.000 1.140 317 W HN 0.155 nan 8.180 nan 0.000 0.507 318 M N -0.134 118.944 119.600 -0.871 0.000 2.374 318 M HA -0.191 4.288 4.480 -0.001 0.000 0.264 318 M C 2.186 178.168 176.300 -0.530 0.000 1.067 318 M CA 1.066 55.599 55.300 -1.279 0.000 1.103 318 M CB -0.688 31.323 32.600 -0.982 0.000 1.402 318 M HN 0.023 nan 8.290 nan 0.000 0.444 319 L N 0.593 121.655 121.223 -0.269 0.000 2.083 319 L HA -0.222 4.118 4.340 -0.001 0.000 0.209 319 L C 2.115 178.967 176.870 -0.030 0.000 1.083 319 L CA 1.706 56.485 54.840 -0.103 0.000 0.752 319 L CB -0.286 41.743 42.059 -0.049 0.000 0.899 319 L HN 0.389 nan 8.230 nan 0.000 0.433 320 E N -0.866 119.332 120.200 -0.002 0.000 2.153 320 E HA -0.249 4.101 4.350 -0.001 0.000 0.194 320 E C 1.920 178.660 176.600 0.232 0.000 0.988 320 E CA 1.237 57.717 56.400 0.134 0.000 0.811 320 E CB -0.216 29.628 29.700 0.240 0.000 0.746 320 E HN 0.545 nan 8.360 nan 0.000 0.466 321 W N 0.522 121.802 121.300 -0.034 0.000 2.402 321 W HA -0.047 4.613 4.660 -0.001 0.000 0.286 321 W C 1.893 178.384 176.519 -0.046 0.000 1.221 321 W CA 0.119 57.425 57.345 -0.066 0.000 1.257 321 W CB -0.847 28.515 29.460 -0.162 0.000 1.120 321 W HN 0.134 nan 8.180 nan 0.000 0.551 322 L N 0.236 121.568 121.223 0.182 0.000 2.217 322 L HA -0.077 4.263 4.340 -0.001 0.000 0.211 322 L C 2.362 179.275 176.870 0.072 0.000 1.107 322 L CA 2.418 57.318 54.840 0.099 0.000 0.783 322 L CB -1.396 40.691 42.059 0.047 0.000 0.919 322 L HN 0.116 nan 8.230 nan 0.000 0.442 323 T N -5.927 108.668 114.554 0.068 0.000 3.019 323 T HA 0.036 4.386 4.350 -0.001 0.000 0.247 323 T C 1.754 176.473 174.700 0.032 0.000 0.992 323 T CA 0.136 62.258 62.100 0.037 0.000 1.036 323 T CB -0.432 68.439 68.868 0.005 0.000 1.063 323 T HN 0.013 nan 8.240 nan 0.000 0.476 324 L N 2.599 123.862 121.223 0.066 0.000 2.017 324 L HA 0.185 4.525 4.340 -0.001 0.000 0.208 324 L C -0.926 175.921 176.870 -0.038 0.000 1.073 324 L CA 1.812 56.697 54.840 0.074 0.000 0.745 324 L CB -0.957 41.214 42.059 0.187 0.000 0.894 324 L HN 0.137 nan 8.230 nan 0.000 0.432 325 P HA -0.192 nan 4.420 nan 0.000 0.218 325 P C 1.375 178.360 177.300 -0.525 0.000 1.148 325 P CA 1.414 64.035 63.100 -0.798 0.000 0.822 325 P CB -0.041 31.113 31.700 -0.909 0.000 0.784 326 Q N -1.549 118.150 119.800 -0.167 0.000 2.172 326 Q HA -0.047 4.293 4.340 -0.001 0.000 0.200 326 Q C 2.153 178.230 176.000 0.127 0.000 0.964 326 Q CA 1.109 56.945 55.803 0.055 0.000 0.855 326 Q CB -0.424 28.534 28.738 0.366 0.000 0.918 326 Q HN 0.315 nan 8.270 nan 0.000 0.444 327 M N -0.007 119.632 119.600 0.064 0.000 2.117 327 M HA -0.154 4.326 4.480 -0.001 0.000 0.262 327 M C 2.424 178.712 176.300 -0.020 0.000 1.065 327 M CA 1.355 56.679 55.300 0.041 0.000 1.114 327 M CB -0.375 32.211 32.600 -0.023 0.000 1.361 327 M HN 0.249 nan 8.290 nan 0.000 0.408 328 V N -1.251 118.642 119.914 -0.035 0.000 2.591 328 V HA -0.133 3.987 4.120 -0.001 0.000 0.249 328 V C 1.895 177.968 176.094 -0.036 0.000 1.053 328 V CA 2.160 64.474 62.300 0.023 0.000 1.068 328 V CB -0.782 31.196 31.823 0.258 0.000 0.689 328 V HN 0.409 nan 8.190 nan 0.000 0.462 329 T N 1.322 115.766 114.554 -0.184 0.000 2.777 329 T HA -0.014 4.336 4.350 -0.001 0.000 0.266 329 T C 2.196 176.582 174.700 -0.523 0.000 1.040 329 T CA 1.848 63.707 62.100 -0.401 0.000 1.141 329 T CB -0.667 67.788 68.868 -0.689 0.000 0.868 329 T HN 0.763 nan 8.240 nan 0.000 0.444 330 A N 1.589 124.165 122.820 -0.406 0.000 1.908 330 A HA -0.164 4.156 4.320 -0.001 0.000 0.218 330 A C 2.563 180.162 177.584 0.025 0.000 1.181 330 A CA 2.213 54.218 52.037 -0.053 0.000 0.627 330 A CB -1.377 17.840 19.000 0.362 0.000 0.818 330 A HN 0.487 nan 8.150 nan 0.000 0.445 331 T N -0.339 114.214 114.554 -0.002 0.000 2.708 331 T HA -0.053 4.296 4.350 -0.001 0.000 0.266 331 T C 1.966 176.671 174.700 0.009 0.000 1.037 331 T CA 1.577 63.679 62.100 0.004 0.000 1.146 331 T CB -0.686 68.160 68.868 -0.037 0.000 0.865 331 T HN 0.590 nan 8.240 nan 0.000 0.435 332 G N 0.973 109.766 108.800 -0.011 0.000 2.404 332 G HA2 -0.181 3.779 3.960 -0.001 0.000 0.215 332 G HA3 -0.181 3.779 3.960 -0.001 0.000 0.215 332 G C 1.740 176.644 174.900 0.007 0.000 1.174 332 G CA 1.325 46.428 45.100 0.005 0.000 0.780 332 G HN 0.438 nan 8.290 nan 0.000 0.537 333 T N 0.861 115.405 114.554 -0.016 0.000 2.665 333 T HA -0.189 4.161 4.350 -0.001 0.000 0.268 333 T C 2.633 177.370 174.700 0.062 0.000 1.035 333 T CA 1.705 63.831 62.100 0.043 0.000 1.151 333 T CB -0.425 68.518 68.868 0.125 0.000 0.862 333 T HN 0.298 nan 8.240 nan 0.000 0.438 334 S N 0.616 116.360 115.700 0.074 0.000 2.365 334 S HA -0.074 4.396 4.470 -0.001 0.000 0.225 334 S C 2.012 176.650 174.600 0.064 0.000 1.039 334 S CA 1.148 59.394 58.200 0.076 0.000 1.033 334 S CB -0.540 62.714 63.200 0.089 0.000 0.887 334 S HN 0.408 nan 8.310 nan 0.000 0.447 335 L N 0.586 121.842 121.223 0.055 0.000 2.079 335 L HA -0.120 4.219 4.340 -0.001 0.000 0.210 335 L C 2.351 179.251 176.870 0.049 0.000 1.081 335 L CA 0.640 55.513 54.840 0.055 0.000 0.752 335 L CB -0.445 41.643 42.059 0.049 0.000 0.896 335 L HN 0.312 nan 8.230 nan 0.000 0.433 336 L N -0.856 120.389 121.223 0.037 0.000 1.994 336 L HA -0.181 4.159 4.340 -0.001 0.000 0.208 336 L C 2.437 179.321 176.870 0.023 0.000 1.071 336 L CA 1.584 56.439 54.840 0.026 0.000 0.745 336 L CB -0.796 41.275 42.059 0.021 0.000 0.892 336 L HN -0.027 nan 8.230 nan 0.000 0.431 337 V N -0.471 119.451 119.914 0.015 0.000 2.427 337 V HA -0.249 3.871 4.120 -0.001 0.000 0.248 337 V C 2.653 178.759 176.094 0.021 0.000 1.051 337 V CA 1.420 63.713 62.300 -0.011 0.000 1.048 337 V CB -1.070 30.723 31.823 -0.051 0.000 0.666 337 V HN 0.505 nan 8.190 nan 0.000 0.456 338 A N -0.301 122.562 122.820 0.071 0.000 1.969 338 A HA -0.218 4.102 4.320 -0.001 0.000 0.218 338 A C 2.180 179.854 177.584 0.151 0.000 1.169 338 A CA 1.929 54.065 52.037 0.166 0.000 0.635 338 A CB -0.372 18.737 19.000 0.181 0.000 0.810 338 A HN 0.530 nan 8.150 nan 0.000 0.445 339 E N -0.012 120.244 120.200 0.093 0.000 2.046 339 E HA -0.063 4.287 4.350 -0.001 0.000 0.190 339 E C 2.188 178.832 176.600 0.073 0.000 0.982 339 E CA 1.039 57.494 56.400 0.090 0.000 0.800 339 E CB -0.242 29.511 29.700 0.088 0.000 0.756 339 E HN 0.521 nan 8.360 nan 0.000 0.449 340 R N -0.340 120.187 120.500 0.046 0.000 2.105 340 R HA -0.141 4.199 4.340 -0.001 0.000 0.239 340 R C 2.314 178.623 176.300 0.015 0.000 1.135 340 R CA 1.295 57.409 56.100 0.022 0.000 0.967 340 R CB -0.419 29.879 30.300 -0.002 0.000 0.861 340 R HN 0.221 nan 8.270 nan 0.000 0.442 341 L N 0.441 121.673 121.223 0.016 0.000 2.017 341 L HA -0.079 4.260 4.340 -0.001 0.000 0.208 341 L C 2.190 179.081 176.870 0.035 0.000 1.073 341 L CA 2.065 56.895 54.840 -0.016 0.000 0.745 341 L CB -0.658 41.346 42.059 -0.093 0.000 0.894 341 L HN 0.109 nan 8.230 nan 0.000 0.432 342 A N -0.596 122.298 122.820 0.122 0.000 2.019 342 A HA -0.077 4.242 4.320 -0.001 0.000 0.219 342 A C 2.363 179.994 177.584 0.078 0.000 1.164 342 A CA 1.598 53.716 52.037 0.135 0.000 0.644 342 A CB -1.039 18.039 19.000 0.130 0.000 0.805 342 A HN 0.576 nan 8.150 nan 0.000 0.449 343 A N -1.038 121.817 122.820 0.059 0.000 2.066 343 A HA -0.069 4.250 4.320 -0.001 0.000 0.218 343 A C 1.993 179.594 177.584 0.030 0.000 1.157 343 A CA 1.269 53.333 52.037 0.045 0.000 0.670 343 A CB -0.321 18.704 19.000 0.042 0.000 0.804 343 A HN 0.648 nan 8.150 nan 0.000 0.453 344 Q N -0.515 119.297 119.800 0.019 0.000 2.331 344 Q HA 0.165 4.505 4.340 -0.001 0.000 0.203 344 Q C -0.132 175.875 176.000 0.011 0.000 0.944 344 Q CA 0.162 55.968 55.803 0.005 0.000 0.892 344 Q CB -0.004 28.723 28.738 -0.017 0.000 0.983 344 Q HN 0.647 nan 8.270 nan 0.000 0.482 345 I N 2.121 122.706 120.570 0.026 0.000 2.494 345 I HA -0.062 4.107 4.170 -0.001 0.000 0.289 345 I C 0.142 176.288 176.117 0.047 0.000 1.106 345 I CA -0.057 61.267 61.300 0.040 0.000 1.369 345 I CB 0.600 38.642 38.000 0.071 0.000 1.410 345 I HN 0.015 nan 8.210 nan 0.000 0.523 346 D N 4.744 125.167 120.400 0.039 0.000 2.338 346 D HA 0.153 4.792 4.640 -0.001 0.000 0.208 346 D C 0.640 176.967 176.300 0.044 0.000 0.997 346 D CA 0.804 54.826 54.000 0.037 0.000 0.880 346 D CB 0.481 41.297 40.800 0.026 0.000 0.980 346 D HN 0.361 nan 8.370 nan 0.000 0.509 347 R N 0.025 120.555 120.500 0.051 0.000 2.604 347 R HA 0.467 4.807 4.340 -0.001 0.000 0.270 347 R C -1.811 174.533 176.300 0.073 0.000 1.052 347 R CA -0.535 55.599 56.100 0.056 0.000 0.902 347 R CB 1.430 31.756 30.300 0.044 0.000 1.233 347 R HN -0.046 nan 8.270 nan 0.000 0.455 348 L N 2.290 123.564 121.223 0.084 0.000 2.362 348 L HA 0.734 5.074 4.340 -0.001 0.000 0.275 348 L C 0.392 177.308 176.870 0.077 0.000 0.998 348 L CA -0.288 54.612 54.840 0.101 0.000 0.820 348 L CB 2.137 44.283 42.059 0.144 0.000 1.270 348 L HN 0.970 nan 8.230 nan 0.000 0.415 349 G N 1.573 110.417 108.800 0.074 0.000 2.498 349 G HA2 0.200 4.159 3.960 -0.001 0.000 0.651 349 G HA3 0.200 4.159 3.960 -0.001 0.000 0.651 349 G C -0.650 174.281 174.900 0.051 0.000 1.284 349 G CA -0.393 44.742 45.100 0.059 0.000 0.950 349 G HN 0.901 nan 8.290 nan 0.000 0.511 350 A N 0.000 122.846 122.820 0.044 0.000 2.254 350 A HA 0.000 4.320 4.320 -0.001 0.000 0.244 350 A CA 0.000 52.059 52.037 0.037 0.000 0.836 350 A CB 0.000 19.018 19.000 0.030 0.000 0.831 350 A HN 0.000 nan 8.150 nan 0.000 0.486